Geometry & MOs

Info

ID:	145388
PubChem CID:	53515367
Reduced:	ON5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	330.053798
ΔH_f, kcal/mol:	44.79
Dipole, Da:	3.19
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dichlorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)NC(=O)N2)NC3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations