Geometry & MOs

Info

ID:	291673
PubChem CID:	113458868
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	282.069054
ΔH_f, kcal/mol:	-48.75
Dipole, Da:	6.57
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-chloroethyl)-1-(1-cyclopropylethyl)benzimidazole

Drug info:

PubChemData

Smile

C1CC(COC1)CNC2=C(C(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations