Geometry & MOs

Info

ID:

3755

PubChem CID:

10115

Reduced:

C15H26 (2)

Stoich.:

A15B26 (2)

Weight, g/mol:

412.406902

ΔHf, kcal/mol:

-96.31

Dipole, Da:

0.25

IP(EA), eV:

 -9.51(3.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C

DOS

IR

Vibrations