Geometry & MOs

Info

ID:

15358

PubChem CID:

439338

Reduced:

OC21H34 (1)

Stoich.:

AB21C34 (1)

Weight, g/mol:

302.260966

ΔHf, kcal/mol:

-31.9

Dipole, Da:

3.54

IP(EA), eV:

 -9.51(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetaldehyde

Drug info:

PubChemData

Smile

C[C@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4CC=O)C

DOS

IR

Vibrations