Geometry & MOs

Info

ID:	355793
PubChem CID:	127290645
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	5.35
IP(EA), eV:	-9.38(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylpiperidin-1-yl)sulfonyl-1,3-dihydroisoindole

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)N2CC3=CC=CC=C3C2

DOS

IR

Vibrations