Geometry & MOs

Info

ID:	62786
PubChem CID:	26736774
Reduced:	Cl2N2O2H18C19 (1)
Stoich.:	A2B2C2D18E19 (1)
Weight, g/mol:	444.171689
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	4.68
IP(EA), eV:	-8.98(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzylbenzimidazol-1-yl)-1-[4-(2-chlorophenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)[C@@H]3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations