Geometry & MOs

Info

ID:	334094
PubChem CID:	127252646
Reduced:	ClN3O5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	509.158685
ΔH_f, kcal/mol:	-125.05
Dipole, Da:	4.94
IP(EA), eV:	-8.85(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]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)NCCCN4C=CC=N4

DOS

IR

Vibrations