Geometry & MOs

Info

ID:	268373
PubChem CID:	103599147
Reduced:	FN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	370.132885
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	3.17
IP(EA), eV:	-10.03(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations