Geometry & MOs

Info

ID:

180624

PubChem CID:

76661485

Reduced:

O15C28H43 (2)

Stoich.:

A15B28C43 (2)

Weight, g/mol:

402.328651

ΔHf, kcal/mol:

-1239.3

Dipole, Da:

5.41

IP(EA), eV:

 -8.58(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3,3-trimethyl-2-(3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl)cyclohexene

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC2OCC3C4C(C(C(O3)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(CO2)OC(O4)C(C9O)O)CO)CO)CO)CO)O)O)C)C

DOS

IR

Vibrations