Geometry & MOs

Info

ID:	205831
PubChem CID:	80163506
Reduced:	NOC3H4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	274.06776
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	7.96
IP(EA), eV:	-9.26(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-N-(3,3,3-trifluoropropyl)-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

COCCOCCNC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations