Geometry & MOs

Info

ID:	150890
PubChem CID:	53790587
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	7.09
IP(EA), eV:	-10.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(propan-2-ylamino)methyl]-4,5-dihydroimidazo[1,5-a]quinoxalin-6-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)COC(=O)NCCC(=O)O

DOS

IR

Vibrations