Geometry & MOs

Info

ID:	300256
PubChem CID:	121270002
Reduced:	ClN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	303.081933
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	8.16
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5,6-difluoro-2-methyl-4-nitrobenzimidazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C)[N+](=O)[O-])N=C(N2CC3=CC4=C(C=C3Cl)OCO4)C

DOS

IR

Vibrations