Geometry & MOs

Info

ID:	268368
PubChem CID:	103599105
Reduced:	FN3O4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	368.128469
ΔH_f, kcal/mol:	-106.49
Dipole, Da:	5.31
IP(EA), eV:	-9.35(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCN(CC1)C(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations