Geometry & MOs

Info

ID:

389196

PubChem CID:

134991520

Reduced:

PO3H10C12 (1)

Stoich.:

AB3C10D12 (1)

Weight, g/mol:

244.14633

ΔHf, kcal/mol:

-26.67

Dipole, Da:

1.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.891372

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-3-methyl-5-phenylhepta-2,6-dienoate

Drug info:

PubChemData

Smile

C1=CC([O+]=C1)P(C2=CC=CO2)C3=CC=CO3

DOS

IR

Vibrations