Geometry & MOs

Info

ID:	48110
PubChem CID:	10537243
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	-155.82
Dipole, Da:	3.85
IP(EA), eV:	-9.7(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzyl-3-methylidenepiperidin-4-yl)acetonitrile

Drug info:

PubChemData

Smile

C[C@H]1C=C[C@H]2C[C@@H](C[C@@H]([C@@H]2[C@H]1CO)O)CO

DOS

IR

Vibrations