Geometry & MOs

Info

ID:	268371
PubChem CID:	103599125
Reduced:	FO3N4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	397.143784
ΔH_f, kcal/mol:	2.01
Dipole, Da:	2.82
IP(EA), eV:	-9.28(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)CN2C=CN=C2)CNC(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations