Geometry & MOs

Info

ID:	158299
PubChem CID:	56463321
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	486.274324
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	1.24
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-4-oxopentanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3)C

DOS

IR

Vibrations