Geometry & MOs

Info

ID:	136698
PubChem CID:	52086631
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-75.15
Dipole, Da:	6.69
IP(EA), eV:	-8.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3,5-dimethylphenoxy)-N-[4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]propanamide

Drug info:

PubChemData

Smile

CCCN1C(=O)COC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3Cl

DOS

IR

Vibrations