Geometry & MOs

Info

ID:

1071

PubChem CID:

3751

Reduced:

O4C31H50 (1)

Stoich.:

A4B31C50 (1)

Weight, g/mol:

486.37091

ΔHf, kcal/mol:

-202.62

Dipole, Da:

3.33

IP(EA), eV:

 -9.13(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[4-methyl-6-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hexa-3,5-dienyl]cyclohexylidene]propanal

Drug info:

PubChemData

Smile

CC1CC=C(C(C1(C)C)C=CC(=CCCC2(C(C(=C(C)C=O)CCC2(C)O)CCCO)CO)C)C

DOS

IR

Vibrations