Geometry & MOs

Info

ID:	25733
PubChem CID:	629791
Reduced:	IN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	482.33961
ΔH_f, kcal/mol:	62.66
Dipole, Da:	3.94
IP(EA), eV:	-9.08(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methylidene-4-oxo-6-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)heptanoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C(C#N)C#N)I)OCC=C

DOS

IR

Vibrations