Geometry & MOs

Info

ID:	373781
PubChem CID:	131320057
Reduced:	N2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	5.32
IP(EA), eV:	-8.77(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-2-oxo-1,3-oxazinan-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)[C@@H]2CNC(=O)N2

DOS

IR

Vibrations