Geometry & MOs

Info

ID:	167148
PubChem CID:	74787257
Reduced:	FO2N5C23H31 (1)
Stoich.:	AB2C5D23E31 (1)
Weight, g/mol:	484.27125
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	3.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798280
Charge, e:	1

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-N-[2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C(NC1=O)(CC2=CC(=CC=C2)F)C3CC[NH+](CC3)CC4=NC=CN4

DOS

IR

Vibrations