Geometry & MOs

Info

ID:	136694
PubChem CID:	52086486
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	372.148535
ΔH_f, kcal/mol:	-128.98
Dipole, Da:	4.02
IP(EA), eV:	-8.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenoxy)propanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3C)O[C@H](C1=O)C

DOS

IR

Vibrations