Geometry & MOs

Info

ID:	413445
PubChem CID:	135086394
Reduced:	PO2H19C21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	314.107181
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	5.04
IP(EA), eV:	-8.82(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diphenylphosphorylbut-3-enyl acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations