Geometry & MOs

Info

ID:	220888
PubChem CID:	85240266
Reduced:	NO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-77.52
Dipole, Da:	2.96
IP(EA), eV:	-8.92(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-6-methyl-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C=C(C1=CC2=C(C=C1)OCO2)C3=CN=CC=C3

DOS

IR

Vibrations