Geometry & MOs

Info

ID:	300255
PubChem CID:	121269993
Reduced:	Cl2O2N3H11C15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	373.082934
ΔH_f, kcal/mol:	52.79
Dipole, Da:	9.97
IP(EA), eV:	-9.48(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,5,6-trimethyl-4-nitrobenzimidazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations