Geometry & MOs

Info

ID:	71635
PubChem CID:	48415141
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-45.65
Dipole, Da:	3.53
IP(EA), eV:	-8.56(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]quinoxalin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations