Geometry & MOs

Info

ID:	237567
PubChem CID:	92719765
Reduced:	SN2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	21.31
Dipole, Da:	6.74
IP(EA), eV:	-8.34(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]quinoxalin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CNC(=S)NC2CCCCC2)C3=CC=CS3

DOS

IR

Vibrations