Geometry & MOs

Info

ID:	150646
PubChem CID:	53790340
Reduced:	O3C20H34 (1)
Stoich.:	A3B20C34 (1)
Weight, g/mol:	472.318875
ΔH_f, kcal/mol:	-153.0
Dipole, Da:	7.56
IP(EA), eV:	-9.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(1R,3aS,7aR)-4-[2-(3,5-dihydroxycyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-2,2-dimethylhepta-4,6-dienoate

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCC=CC=CC=CC(=O)O)O

DOS

IR

Vibrations