Geometry & MOs

Info

ID:	334347
PubChem CID:	127252899
Reduced:	ClN2O6H19C22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	466.12772
ΔH_f, kcal/mol:	-167.97
Dipole, Da:	3.07
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)/C(=C/NC2=CN=CC=C2)/C(=O)[C@]13C(=O)C4=C(O3)C(=C(C=C4OC)OC)Cl

DOS

IR

Vibrations