Geometry & MOs

Info

ID:

43419

PubChem CID:

10321265

Reduced:

OC15H26 (2)

Stoich.:

AB15C26 (2)

Weight, g/mol:

444.396731

ΔHf, kcal/mol:

-142.5

Dipole, Da:

1.34

IP(EA), eV:

-9.01(1.42)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[(1S,3aR,3bS,5aR,9aS,9bR,11aS)-3a,9b,11a-trimethyl-1-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,3b,4,5,7,8,9,9a,10,11-dodecahydroindeno[5,4-f]chromen-5a-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CC[C@@H]([C@@](C)(CC/C=C(\C)/CCC=C(C)C)O)O)/C)/C)C

DOS

IR

Vibrations