Geometry & MOs

Info

ID:	307145
PubChem CID:	125275226
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-105.93
Dipole, Da:	4.37
IP(EA), eV:	-9.67(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2R)-3-oxo-2H-quinoxalin-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)[C@@H](C(=O)N1)[C@@H](CC(=O)OC)C2=CC3=NC=CN=C3C=C2

DOS

IR

Vibrations