Geometry & MOs

Info

ID:	389953
PubChem CID:	134996218
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	2.93
IP(EA), eV:	-9.15(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-3-ethenyl-2,3-dihydroquinoxalin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@@H](C(=CO1)Br)C2=CC=CC=C2

DOS

IR

Vibrations