Geometry & MOs

Info

ID:	53782
PubChem CID:	14717916
Reduced:	F2N2O3H16C22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-100.38
Dipole, Da:	4.3
IP(EA), eV:	-9.59(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-bis(3,4-dimethylphenyl)-2,3-dihydroquinoxalin-6-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(N=C3C=C(C=CC3=N2)C(C(=O)O)O)C4=CC=C(C=C4)F)F

DOS

IR

Vibrations