Geometry & MOs

Info

ID:	260533
PubChem CID:	103194634
Reduced:	ClON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	4.55
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C3=C(C(=CC=C3)Cl)CN

DOS

IR

Vibrations