Geometry & MOs

Info

ID:	268366
PubChem CID:	103599103
Reduced:	FN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	315.101919
ΔH_f, kcal/mol:	-117.78
Dipole, Da:	3.9
IP(EA), eV:	-9.74(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCOCCCNC(=O)C=CC1=C(C=C(C=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations