Geometry & MOs

Info

ID:	174498
PubChem CID:	75773507
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	421.157246
ΔH_f, kcal/mol:	-75.82
Dipole, Da:	4.01
IP(EA), eV:	-8.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylpiperidin-1-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinoxalin-2-one

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC3=CC=CC=C3N(C2=O)CCC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations