Geometry & MOs

Info

ID:	6236
PubChem CID:	67595
Reduced:	O2F3N3H4C8 (1)
Stoich.:	A2B3C3D4E8 (1)
Weight, g/mol:	231.025561
ΔH_f, kcal/mol:	-108.24
Dipole, Da:	2.52
IP(EA), eV:	-10.36(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2-(trifluoromethyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C(F)(F)F

DOS

IR

Vibrations