Geometry & MOs

Info

ID:	214341
PubChem CID:	84975219
Reduced:	ClO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	309.124405
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	4.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.853333
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC(=O)NCC2=CC=CC=C2Cl)C(=O)N

DOS

IR

Vibrations