Geometry & MOs

Info

ID:	179572
PubChem CID:	76501921
Reduced:	NO4C33H41 (1)
Stoich.:	AB4C33D41 (1)
Weight, g/mol:	294.219495
ΔH_f, kcal/mol:	-101.12
Dipole, Da:	6.53
IP(EA), eV:	-9.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6a-(3-hydroxy-4,4-dimethyloct-1-enyl)-4-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

CONC(=C1C2CC(C1CC=CCCCC(=O)O)(CO2)C3=CC=C(C=C3)C4=CC=CC=C4)C5CCCCC5

DOS

IR

Vibrations