Geometry & MOs

Info

ID:	268361
PubChem CID:	103599089
Reduced:	FN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	308.117235
ΔH_f, kcal/mol:	-72.23
Dipole, Da:	1.67
IP(EA), eV:	-9.93(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylmorpholin-4-yl)-3-(4-fluoro-2-nitrophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations