Geometry & MOs

Info

ID:	304106
PubChem CID:	124493589
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	4.46
IP(EA), eV:	-9.07(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCCC[C@H]1C2=C(N=CC=C2)N

DOS

IR

Vibrations