Geometry & MOs

Info

ID:	26171
PubChem CID:	640003
Reduced:	C7H8 (2)
Stoich.:	A7B8 (2)
Weight, g/mol:	367.080435
ΔH_f, kcal/mol:	24.87
Dipole, Da:	0.56
IP(EA), eV:	-8.7(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-10,12-dinitro-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)CC(C2)C3=CC=CC=C3

DOS

IR

Vibrations