Geometry & MOs

Info

ID:	300258
PubChem CID:	121270022
Reduced:	F2N3O3H13C16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	351.083076
ΔH_f, kcal/mol:	-63.9
Dipole, Da:	11.86
IP(EA), eV:	-9.34(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-4-nitro-2-(trifluoromethyl)benzimidazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations