Geometry & MOs

Info

ID:	212286
PubChem CID:	81060013
Reduced:	SN3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	42.41
Dipole, Da:	5.03
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations