Geometry & MOs

Info

ID:	66180
PubChem CID:	46500386
Reduced:	N4O6C19H28 (1)
Stoich.:	A4B6C19D28 (1)
Weight, g/mol:	281.97524
ΔH_f, kcal/mol:	-175.64
Dipole, Da:	1.27
IP(EA), eV:	-8.64(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-3-oxo-4H-quinoxalin-2-yl)urea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)C(=O)NCCCN2CCOCC2

DOS

IR

Vibrations