Published 2016 | Version v1
Journal article

A theoretical study of the structure of 6,6-dimethyl-7-nitroso-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-b]pyridine

Description

DFT calculations have been carried out on 6,6-dimethyl-7-nitroso-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine concerning energies, absolute shieldings (GIAO) and moleculargraphs (AIM) to determine the molecular structureof the compound (tautomerism and conformation of thenitroso group). (Author)

Additional details

Publishing Information

Journal Title
Afinidad (Online)
Journal Volume
73
Journal Issue
575
Journal Page Range
4 p.
ISSN
2339-9686

INIS

Country of Publication
Spain
Country of Input or Organization
Spain
INIS RN
47117493
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
CHEMISTRY; MOLECULAR STRUCTURE; PYRAZOLES; SHIELDING
Descriptors DEC
AZOLES; HETEROCYCLIC COMPOUNDS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS