Geometry & MOs

Info

ID:

183025

PubChem CID:

76970512

Reduced:

C13H20 (4)

Stoich.:

A13B20 (4)

Weight, g/mol:

614.600182

ΔHf, kcal/mol:

-82.86

Dipole, Da:

1.35

IP(EA), eV:

 -8.68(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4aR,4bR,7R,8aR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methyl docosanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C=C1.CCCCCCCCCCCCCCCCC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations