Geometry & MOs

Info

ID:	53788
PubChem CID:	14717928
Reduced:	FNOH8C11 (2)
Stoich.:	ABCD8E11 (2)
Weight, g/mol:	398.199428
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	4.32
IP(EA), eV:	-9.64(-1.81)
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]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@H]2[C@H](N=C3C=C(C=CC3=N2)CC(=O)O)C4=CC=C(C=C4)F)F

DOS

IR

Vibrations