Geometry & MOs

Info

ID:	9323
PubChem CID:	87935
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	9.48
IP(EA), eV:	-8.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CCCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCC

DOS

IR

Vibrations