Geometry & MOs

Info

ID:	158403
PubChem CID:	56463574
Reduced:	OSN6C25H32 (1)
Stoich.:	ABC6D25E32 (1)
Weight, g/mol:	439.237211
ΔH_f, kcal/mol:	56.16
Dipole, Da:	2.02
IP(EA), eV:	-8.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzimidazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4

DOS

IR

Vibrations