Geometry & MOs

Info

ID:	127117
PubChem CID:	50991209
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	383.163377
ΔH_f, kcal/mol:	-47.5
Dipole, Da:	7.44
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C)C1=NC2=C(C=CC(=C2)C(=O)O)N=C1C3=CC=C(C=C3)OC

DOS

IR

Vibrations