Geometry & MOs

Info

ID:

386629

PubChem CID:

134982402

Reduced:

OH19C21 (1)

Stoich.:

AB19C21 (1)

Weight, g/mol:

362.24571

ΔHf, kcal/mol:

60.63

Dipole, Da:

1.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.876266

Charge, e:

 0

Chem-info

IUPAC name:

[(Z)-11,11-diethoxyundec-9-enyl] benzoate

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)O)/[C]3[CH][CH][CH][CH]3

DOS

IR

Vibrations