Geometry & MOs

Info

ID:

448994

PubChem CID:

135295039

Reduced:

NC41H43 (1)

Stoich.:

AB41C43 (1)

Weight, g/mol:

424.35053

ΔHf, kcal/mol:

171.52

Dipole, Da:

1.78

IP(EA), eV:

 -8.2(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5Z,7E)-6-(fluoromethyl)-5-methyl-4-[(3E)-penta-1,3-dien-3-yl]-8-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)nona-5,7-dienyl]cyclohexane

Drug info:

PubChemData

Smile

CC(=C(C)/C(=C(/C)\C=C)/C(=C/N)/C=C/1\CC(=CC1C(C2=CC=CC=C2)C3=CC=CC=C3)C4CC=C(C=C4)C(=C)C#C)C

DOS

IR

Vibrations