Geometry & MOs

Info

ID:	76818
PubChem CID:	48425425
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	347.187878
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	2.82
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-1-propylsulfonylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC(=NO1)C2=CC=C(C=C2)C

DOS

IR

Vibrations