Geometry & MOs

Info

ID:	144336
PubChem CID:	53351636
Reduced:	ClON3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	392.04099
ΔH_f, kcal/mol:	-4.85
Dipole, Da:	3.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750023
Charge, e:	-1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;bromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C.[Cl-]

DOS

IR

Vibrations