Geometry & MOs

Info

ID:

229604

PubChem CID:

87568133

Reduced:

O4C13H14 (2)

Stoich.:

A4B13C14 (2)

Weight, g/mol:

321.209264

ΔHf, kcal/mol:

-260.6

Dipole, Da:

3.67

IP(EA), eV:

 -8.6(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9R,10R,13S,14S)-10,13-dimethyl-15,16-dimethylidene-3-oxo-1,2,6,7,8,9,11,12,14,17-decahydrocyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CC/C(=C(/C=C/C1=CC(=C(C=C1)O)OC)\O)/C(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations