Geometry & MOs

Info

ID:	201957
PubChem CID:	79609320
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	330.116877
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	5.74
IP(EA), eV:	-8.99(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC2CCCN(C2)S(=O)(=O)C)NC

DOS

IR

Vibrations