Geometry & MOs

Info

ID:	367055
PubChem CID:	127323038
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	235.087625
ΔH_f, kcal/mol:	-51.07
Dipole, Da:	1.53
IP(EA), eV:	-8.59(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC3=C(O2)C=CC(=C3)C

DOS

IR

Vibrations