Geometry & MOs

Info

ID:	327753
PubChem CID:	126690976
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	228.082016
ΔH_f, kcal/mol:	-83.36
Dipole, Da:	2.28
IP(EA), eV:	-8.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-phenylbutane-2-sulfonic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C/C=C/COCN2CCCCC2

DOS

IR

Vibrations