Geometry & MOs

Info

ID:	59332
PubChem CID:	24787011
Reduced:	ON2H20C26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	524.444075
ΔH_f, kcal/mol:	63.2
Dipole, Da:	4.43
IP(EA), eV:	-8.39(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-(6-butoxy-3-hydroxy-4,5-dimethylcyclohexen-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=C(NC2=O)C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations