Geometry & MOs

Info

ID:	89339
PubChem CID:	49960554
Reduced:	NO3C15H15 (2)
Stoich.:	AB3C15D15 (2)
Weight, g/mol:	554.220557
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	8.3
IP(EA), eV:	-8.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)acetyl]-2,3-dihydroquinoxalin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3N(CC2)C(=O)/C=C/C4=CC(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations