Geometry & MOs

Info

ID:	76998
PubChem CID:	48425688
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-169.09
Dipole, Da:	2.55
IP(EA), eV:	-9.34(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1CCCN1C(=O)C2=CC=CC=C2OCC

DOS

IR

Vibrations