Geometry & MOs

Info

ID:	127118
PubChem CID:	50991210
Reduced:	O2N3H21C24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	28.84
Dipole, Da:	6.43
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2R)-butan-2-yl]-methylamino]-2-phenylquinoxaline-6-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(C)C2=NC3=C(C=CC(=C3)C(=O)O)N=C2C4=CC=CC=C4

DOS

IR

Vibrations