Geometry & MOs

Info

ID:	212232
PubChem CID:	81059894
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	272.200097
ΔH_f, kcal/mol:	41.5
Dipole, Da:	4.74
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(1-propylpiperidin-4-yl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)C2=C(SC(=C2)C)C

DOS

IR

Vibrations