Geometry & MOs

Info

ID:

385597

PubChem CID:

134979517

Reduced:

Si3O5C48H90 (1)

Stoich.:

A3B5C48D90 (1)

Weight, g/mol:

382.323566

ΔHf, kcal/mol:

-422.67

Dipole, Da:

2.3

IP(EA), eV:

 -8.72(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@H](C/C(=C\[C@@H](C)[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)/C)[C@@H]([C@@H](C)[C@@H]([C@H](C)/C=C\C=C)OCC1=CC=C(C=C1)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations