Geometry & MOs

Info

ID:	225773
PubChem CID:	87226021
Reduced:	NSO5H17C19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	230.153147
ΔH_f, kcal/mol:	-91.23
Dipole, Da:	11.31
IP(EA), eV:	-8.44(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C/C(=C\3/NC=CS3)/C=CC2=O

DOS

IR

Vibrations