Geometry & MOs

Info

ID:

168382

PubChem CID:

74959823

Reduced:

O2C15H25 (2)

Stoich.:

A2B15C25 (2)

Weight, g/mol:

490.365825

ΔHf, kcal/mol:

-254.47

Dipole, Da:

3.54

IP(EA), eV:

 -9.26(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl)ethylidene]-8-hydroxy-3,5,5,8-tetramethyl-4a,6,7,8a-tetrahydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

CC1CCC2C(C1=CCC3C4(CCC(=O)C(OC4CCC3(C)O)(C)C)C)C(CCC2(C)O)(C)C

DOS

IR

Vibrations