Geometry & MOs

Info

ID:	300259
PubChem CID:	121270032
Reduced:	F3N3O3H12C16 (1)
Stoich.:	A3B3C3D12E16 (1)
Weight, g/mol:	392.044296
ΔH_f, kcal/mol:	-120.18
Dipole, Da:	9.29
IP(EA), eV:	-9.44(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(5,6-dichloro-2-methyl-4-nitrobenzimidazol-1-yl)methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C(=CC=C3)[N+](=O)[O-])N=C2C(F)(F)F

DOS

IR

Vibrations