Geometry & MOs

Info

ID:

13617

PubChem CID:

396075

Reduced:

NOC14H21 (2)

Stoich.:

ABC14D21 (2)

Weight, g/mol:

438.324629

ΔHf, kcal/mol:

-31.67

Dipole, Da:

1.22

IP(EA), eV:

 -8.63(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-3-(2-piperidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

C[C@]12CCC(=NOCCN3CCCCC3)C=C1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@]5(C#C)O)C

DOS

IR

Vibrations