Geometry & MOs

Info

ID:	20819
PubChem CID:	585893
Reduced:	O3C27H44 (1)
Stoich.:	A3B27C44 (1)
Weight, g/mol:	416.329045
ΔH_f, kcal/mol:	-179.06
Dipole, Da:	2.44
IP(EA), eV:	-8.69(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-6-methylheptane-1,6-diol

Drug info:

PubChemData

Smile

CC12CCCC(=CC=C3CC(CCC3=C)O)C1CCC2C(CCCC(C)(C)O)CO

DOS

IR

Vibrations