Geometry & MOs

Info

ID:	334230
PubChem CID:	127252782
Reduced:	N3O4H19C23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	417.132471
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	1.48
IP(EA), eV:	-8.41(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=CN=CN5)OC

DOS

IR

Vibrations