Geometry & MOs

Info

ID:	438481
PubChem CID:	135228223
Reduced:	NC7H9 (3)
Stoich.:	AB7C9 (3)
Weight, g/mol:	394.01782
ΔH_f, kcal/mol:	42.57
Dipole, Da:	6.53
IP(EA), eV:	-7.92(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(4-iodobutyl)benzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CCCCN1C(=C)C2=C3C(=C(C=C2)NC(C)CC)C=CC=C3C1=N

DOS

IR

Vibrations