Geometry & MOs

Info

ID:	438567
PubChem CID:	135228311
Reduced:	O3N6C25H26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	396.03347
ΔH_f, kcal/mol:	32.23
Dipole, Da:	3.38
IP(EA), eV:	-9.08(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC=CC=C1)[C@H]2COC(=N2)C3=C4CN5C(=NN=C5C6=C(N4C=N3)C=CC(=C6)OC)COC

DOS

IR

Vibrations