Geometry & MOs

Info

ID:	236958
PubChem CID:	92716400
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	286.056527
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	2.97
IP(EA), eV:	-8.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C(=O)O)N1C(=C2C=NN(C(=O)C2=C1C)C3=CC=CC=C3)C

DOS

IR

Vibrations