Geometry & MOs

Info

ID:	392547
PubChem CID:	135017132
Reduced:	FN2O4H17C24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-105.18
Dipole, Da:	1.13
IP(EA), eV:	-9.36(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(2-acetyloxyphenyl)-5,6,7,8-tetrahydroquinoxalin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations