Geometry & MOs

Info

ID:	268344
PubChem CID:	103598995
Reduced:	FO3N4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	397.107399
ΔH_f, kcal/mol:	-25.99
Dipole, Da:	5.73
IP(EA), eV:	-8.48(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations