Geometry & MOs

Info

ID:	195028
PubChem CID:	78624575
Reduced:	ClF2O2N4H11C13 (1)
Stoich.:	AB2C2D4E11F13 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-77.37
Dipole, Da:	7.07
IP(EA), eV:	-9.14(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-ethylanilino)propanoyl]-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

CC(=NNC1=CN=NC(=O)C1Cl)C2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations