Geometry & MOs

Info

ID:	28909
PubChem CID:	830532
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	250.110613
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	3.96
IP(EA), eV:	-8.69(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methylphenyl)methyl]-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]([C@H](CN2CCCCC2)C3=CC=CC=C3)O

DOS

IR

Vibrations