Geometry & MOs

Info

ID:	442575
PubChem CID:	135253079
Reduced:	ClO2N4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	391.119988
ΔH_f, kcal/mol:	24.3
Dipole, Da:	3.97
IP(EA), eV:	-8.64(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-methyl-N-(4-methylphenyl)-1-(pyridin-3-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=CC=CO4)C

DOS

IR

Vibrations