Geometry & MOs

Info

ID:	82884
PubChem CID:	49856747
Reduced:	N2O2H11C12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	358.027583
ΔH_f, kcal/mol:	-71.38
Dipole, Da:	7.5
IP(EA), eV:	-8.52(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,11-dichloro-8,9-dimethoxyisoquinolino[4,3-c]quinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4NC3=O)N(C2=O)CCCN5C=CN=C5)OC

DOS

IR

Vibrations