Geometry & MOs

Info

ID:	143004
PubChem CID:	53131390
Reduced:	OF3N3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-142.83
Dipole, Da:	4.66
IP(EA), eV:	-9.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)CCC2=CC3=C(C=C2)N=CN3)C(F)(F)F

DOS

IR

Vibrations