Geometry & MOs

Info

ID:	89494
PubChem CID:	49962093
Reduced:	ClNC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	228.151902
ΔH_f, kcal/mol:	47.59
Dipole, Da:	1.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

2,2-bis(2-methylprop-2-enyl)piperidine;chloride

Drug info:

PubChemData

Smile

CC(=C)C[C@H]1CC2=CC=CC=C2[C@@H](N1)CC(=C)C.[Cl-]

DOS

IR

Vibrations