Geometry & MOs

Info

ID:	283869
PubChem CID:	104014242
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-2.89
Dipole, Da:	3.49
IP(EA), eV:	-9.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpyridin-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C(=O)C2CC2)C

DOS

IR

Vibrations