Geometry & MOs

Info

ID:	268374
PubChem CID:	103599148
Reduced:	FN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	295.085601
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	3.58
IP(EA), eV:	-9.19(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxopentyl 3-(4-fluoro-2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C2=CC=CC=C2)C(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations