Geometry & MOs

Info

ID:	334495
PubChem CID:	127253170
Reduced:	O2N3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	455.111735
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	5.31
IP(EA), eV:	-8.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CC2=CC(=C(C=C2CN1C(=O)CCCC3=NN=C4N3N=CC=C4)OC)OC

DOS

IR

Vibrations