Geometry & MOs

Info

ID:	218179
PubChem CID:	85088997
Reduced:	O3C29H40 (1)
Stoich.:	A3B29C40 (1)
Weight, g/mol:	436.297745
ΔH_f, kcal/mol:	-131.41
Dipole, Da:	4.36
IP(EA), eV:	-8.51(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,8-dimethyl-9-oxodeca-3,5,7-trien-2-ylidene)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C)C=CC1CC1(C)C2=CC(=C3C(=C2)C(CO3)(C)C)CC4CCCCC4

DOS

IR

Vibrations