Geometry & MOs

Info

ID:	37998
PubChem CID:	8026293
Reduced:	F2N2O7H12C18 (1)
Stoich.:	A2B2C7D12E18 (1)
Weight, g/mol:	388.117155
ΔH_f, kcal/mol:	-239.62
Dipole, Da:	7.74
IP(EA), eV:	-9.15(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations