Geometry & MOs

Info

ID:	82883
PubChem CID:	49856745
Reduced:	O7C30H38 (1)
Stoich.:	A7B30C38 (1)
Weight, g/mol:	430.164105
ΔH_f, kcal/mol:	-319.19
Dipole, Da:	5.36
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-imidazol-1-ylpropyl)-8,9-dimethoxy-12H-isoquinolino[4,3-c]quinoline-6,11-dione

Drug info:

PubChemData

Smile

CCC1=CC(=O)C2=C(O1)C3=C(C=C2)OC([C@@H]([C@@H]3OC(=O)C4CCCCC4)OC(=O)C5CCCCC5)(C)C

DOS

IR

Vibrations