Geometry & MOs

Info

ID:	442581
PubChem CID:	135253139
Reduced:	ClON4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	381.110486
ΔH_f, kcal/mol:	61.83
Dipole, Da:	4.18
IP(EA), eV:	-8.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3CC4=CCC=C4)C

DOS

IR

Vibrations