Geometry & MOs

Info

ID:	442584
PubChem CID:	135253175
Reduced:	ClO2N6C23H27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	454.224787
ΔH_f, kcal/mol:	-19.11
Dipole, Da:	6.46
IP(EA), eV:	-8.67(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-propan-2-ylpiperazin-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(=NN3CCN4CCN(CC4)C(=O)C)C

DOS

IR

Vibrations