Geometry & MOs

Info

ID:	296430
PubChem CID:	117573747
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	34.74
Dipole, Da:	3.35
IP(EA), eV:	-9.28(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-benzylpiperidin-1-yl)methyl]butanenitrile

Drug info:

PubChemData

Smile

CCC(CNCCC1=CC=CC=C1)C#N

DOS

IR

Vibrations