Geometry & MOs

Info

ID:	5950
PubChem CID:	14171
Reduced:	N2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	278.178299
ΔH_f, kcal/mol:	50.91
Dipole, Da:	3.02
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC(C#N)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations