Geometry & MOs

Info

ID:	442582
PubChem CID:	135253170
Reduced:	ClON7H16C18 (1)
Stoich.:	ABC7D16E18 (1)
Weight, g/mol:	426.193487
ΔH_f, kcal/mol:	113.33
Dipole, Da:	6.8
IP(EA), eV:	-8.87(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3CC4=NN=NC4)C

DOS

IR

Vibrations