Geometry & MOs

Info

ID:	178163
PubChem CID:	76287387
Reduced:	FO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	465.186398
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	2.62
IP(EA), eV:	-8.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]amino]benzoate

Drug info:

PubChemData

Smile

CC1C(=O)NN=C2N1C3=C(C=C(C(=C3)NC4CNC4)C5=CC=C(C=C5)F)OC2

DOS

IR

Vibrations