Geometry & MOs

Info

ID:	334544
PubChem CID:	127253219
Reduced:	N5O8C34H35 (1)
Stoich.:	A5B8C34D35 (1)
Weight, g/mol:	403.116821
ΔH_f, kcal/mol:	-180.36
Dipole, Da:	8.94
IP(EA), eV:	-8.9(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCCCCC(=O)N5C[C@H]6C[C@@H](C5)C7=CC=C(C(=O)N7C6)[N+](=O)[O-])OC

DOS

IR

Vibrations