Geometry & MOs

Info

ID:	63156
PubChem CID:	26746536
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	344.098391
ΔH_f, kcal/mol:	-179.89
Dipole, Da:	2.56
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)NNC(=O)C1=CC=C(O1)COC2=CC=CC=C2

DOS

IR

Vibrations