Geometry & MOs

Info

ID:

229

PubChem CID:

2371

Reduced:

OC10H16 (3)

Stoich.:

AB10C16 (3)

Weight, g/mol:

456.360345

ΔHf, kcal/mol:

-206.22

Dipole, Da:

3.77

IP(EA), eV:

 -9.56(0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O

DOS

IR

Vibrations