Geometry & MOs

Info

ID:	309070
PubChem CID:	126536031
Reduced:	SO2N8H22C27 (1)
Stoich.:	AB2C8D22E27 (1)
Weight, g/mol:	315.11201
ΔH_f, kcal/mol:	136.63
Dipole, Da:	5.45
IP(EA), eV:	-8.78(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-pyrazolo[4,3-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC=C(S6)C(=O)C

DOS

IR

Vibrations