Geometry & MOs

Info

ID:	136304
PubChem CID:	52015343
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	358.10842
ΔH_f, kcal/mol:	-122.44
Dipole, Da:	3.53
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenyl)ethyl]-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)O[C@H](C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations