Geometry & MOs

Info

ID:	278292
PubChem CID:	103834653
Reduced:	NSO5C12H23 (1)
Stoich.:	ABC5D12E23 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-250.11
Dipole, Da:	1.89
IP(EA), eV:	-9.53(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)S(=O)(=O)CCCC(=O)OC)O

DOS

IR

Vibrations