Geometry & MOs

Info

ID:	427576
PubChem CID:	135160156
Reduced:	NC28H29 (1)
Stoich.:	AB28C29 (1)
Weight, g/mol:	248.144616
ΔH_f, kcal/mol:	50.71
Dipole, Da:	1.84
IP(EA), eV:	-8.01(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexan-3-ylcyclohexane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C)C2=C(C=CC3=CC=CC=C32)NC(C)C4=CC=CC=C4)C

DOS

IR

Vibrations