Geometry & MOs

Info

ID:	271447
PubChem CID:	103679392
Reduced:	ClN3O3C8H10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	7.54
IP(EA), eV:	-9.56(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methoxypiperidin-1-yl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)NCCCO)[N+](=O)[O-]

DOS

IR

Vibrations