Geometry & MOs

Info

ID:	300260
PubChem CID:	121270033
Reduced:	Cl2O3N4H14C17 (1)
Stoich.:	A2B3C4D14E17 (1)
Weight, g/mol:	350.033731
ΔH_f, kcal/mol:	1.72
Dipole, Da:	12.46
IP(EA), eV:	-9.33(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5,6-dichloro-2-methyl-4-nitrobenzimidazol-1-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=C(C=C2N1CC3=CC=C(C=C3)NC(=O)C)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations