Geometry & MOs

Info

ID:	62252
PubChem CID:	26718610
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	-124.54
Dipole, Da:	5.77
IP(EA), eV:	-8.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C=CC(=O)NC3=O

DOS

IR

Vibrations