Geometry & MOs

Info

ID:	442570
PubChem CID:	135253068
Reduced:	OCl2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	425.081016
ΔH_f, kcal/mol:	32.11
Dipole, Da:	7.61
IP(EA), eV:	-8.81(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methylpyridin-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations