Geometry & MOs

Info

ID:

393033

PubChem CID:

135019037

Reduced:

OC17H19 (1)

Stoich.:

AB17C19 (1)

Weight, g/mol:

332.180771

ΔHf, kcal/mol:

30.91

Dipole, Da:

2.66

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.870342

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate

Drug info:

PubChemData

Smile

CCC[C@H](C=O)[C@@H](C1=C[CH-]C=C1)C2=CC=CC=C2

DOS

IR

Vibrations