Geometry & MOs

Info

ID:	402565
PubChem CID:	135056408
Reduced:	O11C12H22 (1)
Stoich.:	A11B12C22 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	-483.11
Dipole, Da:	4.85
IP(EA), eV:	-10.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-methylpiperidin-3-yl)ethyl]benzonitrile

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O

DOS

IR

Vibrations