Geometry & MOs

Info

ID:	268128
PubChem CID:	103597989
Reduced:	FN2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	398.200571
ΔH_f, kcal/mol:	-71.12
Dipole, Da:	3.02
IP(EA), eV:	-9.06(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NCC2=CC=CC=C2[N+](=O)[O-])F

DOS

IR

Vibrations