Geometry & MOs

Info

ID:	127116
PubChem CID:	50991149
Reduced:	F3O3N5C28H32 (1)
Stoich.:	A3B3C5D28E32 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-235.94
Dipole, Da:	9.66
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)NC1CCC(CC1)NC(=O)C2=C(NC3=C2N=CN=C3C4=C(C=CC(=C4)C(F)(F)F)OCC5CC5)C

DOS

IR

Vibrations