Geometry & MOs

Info

ID:

339183

PubChem CID:

127260562

Reduced:

NO4C24H35 (1)

Stoich.:

AB4C24D35 (1)

Weight, g/mol:

344.235145

ΔHf, kcal/mol:

-184.44

Dipole, Da:

5.24

IP(EA), eV:

 -8.9(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,8R,9S,10R,13S,14S,17R)-17-hydroxy-2-(hydroxymethylidene)-4,10,13,17-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C(=O)C5N(CCO5)C)O)C

DOS

IR

Vibrations