Geometry & MOs

Info

ID:	392546
PubChem CID:	135017131
Reduced:	BrN2O4H17C24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	416.117235
ΔH_f, kcal/mol:	-55.11
Dipole, Da:	1.01
IP(EA), eV:	-9.36(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(2-acetyloxyphenyl)-6-fluoroquinoxalin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)N=C2C4=CC=CC=C4OC(=O)C

DOS

IR

Vibrations