Geometry & MOs

Info

ID:	136380
PubChem CID:	52031094
Reduced:	FN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	362.083348
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	5.49
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-fluoro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)CO2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations