Geometry & MOs

Info

ID:	334719
PubChem CID:	127253394
Reduced:	NO5C33H41 (1)
Stoich.:	AB5C33D41 (1)
Weight, g/mol:	431.148121
ΔH_f, kcal/mol:	-179.82
Dipole, Da:	4.45
IP(EA), eV:	-8.37(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCC(CCN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42)C5CCOC(C5)(C)C

DOS

IR

Vibrations