Geometry & MOs

Info

ID:

386710

PubChem CID:

134982640

Reduced:

C3H4 (5)

Stoich.:

A3B4 (5)

Weight, g/mol:

480.287574

ΔHf, kcal/mol:

17.74

Dipole, Da:

1.92

IP(EA), eV:

 -8.55(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (3E)-3-[[(10R,13R,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CCCC/C(=C\C=C\C1=CC=CC=C1)/C

DOS

IR

Vibrations