Geometry & MOs

Info

ID:	211818
PubChem CID:	81054299
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	2.67
IP(EA), eV:	-8.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)OCCN2CCCC2

DOS

IR

Vibrations