Geometry & MOs

Info

ID:	394752
PubChem CID:	135023692
Reduced:	ON3C40H46 (1)
Stoich.:	AB3C40D46 (1)
Weight, g/mol:	402.111676
ΔH_f, kcal/mol:	38.17
Dipole, Da:	3.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.737801
Charge, e:	0

Chem-info

IUPAC name:

1',3'-dioxospiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,2'-indene]-6,6,7,7-tetracarbonitrile

Drug info:

PubChemData

Smile

CCN\1C2=CC=CC=C2C(/C1=C\C=C\3/CCCC(=C3OC4=CC=CC(=C4)N)/C=C/C5=[N+](C6=CC=CC=C6C5(C)C)CC)(C)C

DOS

IR

Vibrations