Geometry & MOs

Info

ID:	384727
PubChem CID:	134977573
Reduced:	ClO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	198.080967
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	4.04
IP(EA), eV:	-9.57(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-oxo-2,5,6,7,8,8a-hexahydrophosphinolin-3-one

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=CC=C1)C2=C(C2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations