Geometry & MOs

Info

ID:

448977

PubChem CID:

135294940

Reduced:

ON2C29H34 (1)

Stoich.:

AB2C29D34 (1)

Weight, g/mol:

596.513258

ΔHf, kcal/mol:

43.05

Dipole, Da:

4.23

IP(EA), eV:

-8.56(0.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3Z,6Z,8E,9Z)-4-[(E)-7,7-difluoronon-3-en-3-yl]-8-ethylidene-2,6,10,11-tetramethyl-5-methylidene-9-(3-methylpent-2-en-2-yl)trideca-3,6,9-trienyl]cyclohexane

Drug info:

PubChemData

Smile

CC1CC=C(C=C1)/C(=C/CCC2=CC=CC=N2)/C3=NC=C(C=C3C)/C(=C(\C)/OC)/C(=C)C

DOS

IR

Vibrations