Geometry & MOs

Info

ID:	355786
PubChem CID:	127290638
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-154.63
Dipole, Da:	8.2
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dihydroisoindole

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations