Geometry & MOs

Info

ID:	432629
PubChem CID:	135172765
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	318.183109
ΔH_f, kcal/mol:	-259.71
Dipole, Da:	5.97
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-bicyclo[3.3.1]nonanyl)ethyl]-2-hydroxy-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)OC(=O)C1=CC(=C(C=C1O)OC)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations