Geometry & MOs

Info

ID:	45641
PubChem CID:	10515943
Reduced:	BrOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	-22.9
Dipole, Da:	2.33
IP(EA), eV:	-9.48(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-oxo-2-phenyl-2,4-dihydro-1H-quinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

C1C(CC1=O)CCCC2=CC=C(C=C2)Br

DOS

IR

Vibrations