Geometry & MOs

Info

ID:	150317
PubChem CID:	53790005
Reduced:	O5C19H24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	338.191566
ΔH_f, kcal/mol:	-169.63
Dipole, Da:	3.97
IP(EA), eV:	-8.77(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[3-(4-propylcyclohexyl)propyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(C(C)C)C(=O)OCC#CCOC(=O)C

DOS

IR

Vibrations