Geometry & MOs

Info

ID:

21505

PubChem CID:

588693

Reduced:

O4C31H54 (1)

Stoich.:

A4B31C54 (1)

Weight, g/mol:

490.40221

ΔHf, kcal/mol:

-280.68

Dipole, Da:

2.14

IP(EA), eV:

 -9.56(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-propan-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)C1CCC2(C(C1(C)CCC(=O)OC)CCC3C2(CCC3C4(CCC(O4)C(C)(C)O)C)C)C

DOS

IR

Vibrations