Geometry & MOs

Info

ID:	411732
PubChem CID:	135084566
Reduced:	NRh2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-109.57
Dipole, Da:	21.97
IP(EA), eV:	-9.64(-5.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1,1-dihydroxy-3-methylbutan-2-yl]benzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(O)O)N1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O.[Rh].[Rh]

DOS

IR

Vibrations