Geometry & MOs

Info

ID:	214324
PubChem CID:	84975092
Reduced:	ClO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754730
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations