Geometry & MOs

Info

ID:	268354
PubChem CID:	103599052
Reduced:	FN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	350.046963
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	3.39
IP(EA), eV:	-9.9(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-methoxyphenyl)-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations