Geometry & MOs

Info

ID:	334690
PubChem CID:	127253365
Reduced:	ClN2O7C25H25 (1)
Stoich.:	AB2C7D25E25 (1)
Weight, g/mol:	398.126657
ΔH_f, kcal/mol:	-220.14
Dipole, Da:	9.05
IP(EA), eV:	-8.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-dimethoxypyridin-2-yl)methyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations