Geometry & MOs

Info

ID:	1228
PubChem CID:	4018
Reduced:	O2C13H21 (2)
Stoich.:	A2B13C21 (2)
Weight, g/mol:	418.30831
ΔH_f, kcal/mol:	-215.78
Dipole, Da:	3.64
IP(EA), eV:	-8.74(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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

DOS

IR

Vibrations