Geometry & MOs

Info

ID:

387154

PubChem CID:

134984210

Reduced:

PO2C16H24 (1)

Stoich.:

AB2C16D24 (1)

Weight, g/mol:

724.154094

ΔHf, kcal/mol:

-90.4

Dipole, Da:

9.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758266

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations