Geometry & MOs

Info

ID:	392610
PubChem CID:	135017343
Reduced:	O2N3H25C32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	484.215078
ΔH_f, kcal/mol:	18.73
Dipole, Da:	5.75
IP(EA), eV:	-9.14(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-di(propan-2-yl)phenyl]-6-isoquinolin-8-ylbenzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=NC=CC7=C6C5=NC=C7)C2=O

DOS

IR

Vibrations