Geometry & MOs

Info

ID:	136696
PubChem CID:	52086600
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	6.21
IP(EA), eV:	-8.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)O[C@H](C)C(=O)NC2=CC3=C(C=C2)O[C@H](C(=O)N3CC)C

DOS

IR

Vibrations