Geometry & MOs

Info

ID:	83
PubChem CID:	2091
Reduced:	O2C27H44 (1)
Stoich.:	A2B27C44 (1)
Weight, g/mol:	400.334131
ΔH_f, kcal/mol:	-136.51
Dipole, Da:	2.81
IP(EA), eV:	-8.75(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

DOS

IR

Vibrations