Geometry & MOs

Info

ID:

397674

PubChem CID:

135030563

Reduced:

NO2C5H10 (1)

Stoich.:

AB2C5D10 (1)

Weight, g/mol:

270.165121

ΔHf, kcal/mol:

-67.63

Dipole, Da:

1.99

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.758480

Charge, e:

0

Chem-info

IUPAC name:

(2E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,6-dienoic acid

Drug info:

PubChemData

Smile

C1C[N]C[C@@H]([C@@H]1O)O

DOS

IR

Vibrations