Geometry & MOs

Info

ID:	127111
PubChem CID:	50991113
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	6.94
IP(EA), eV:	-8.98(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C2=NC3=C(C=CC(=C3)C(=O)O)N=C2C4=CC=CC=C4

DOS

IR

Vibrations