Geometry & MOs

Info

ID:	343333
PubChem CID:	127266506
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	339.096754
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	2.4
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethenyl]-5-nitropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2CCC3(C2)C(=O)N(C(=O)N3)C

DOS

IR

Vibrations