Geometry & MOs

Info

ID:	442583
PubChem CID:	135253174
Reduced:	ClON6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	454.188402
ΔH_f, kcal/mol:	28.81
Dipole, Da:	3.47
IP(EA), eV:	-8.49(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-3-methyl-N-(4-methylphenyl)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)C

DOS

IR

Vibrations