Geometry & MOs

Info

ID:	205149
PubChem CID:	80060677
Reduced:	SO3C17H26 (1)
Stoich.:	AB3C17D26 (1)
Weight, g/mol:	219.1293
ΔH_f, kcal/mol:	-148.96
Dipole, Da:	6.36
IP(EA), eV:	-9.37(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylsulfonylcyclohexyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C)(C2CCCC(C2)S(=O)(=O)C)O

DOS

IR

Vibrations