Geometry & MOs

Info

ID:	380031
PubChem CID:	134964510
Reduced:	PO2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	180.99288
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760643
Charge, e:	0

Chem-info

IUPAC name:

3-phosphoroso-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCO[P+](=O)C/C=C/C1=CC=CC=C1

DOS

IR

Vibrations