Geometry & MOs

Info

ID:	427512
PubChem CID:	135159476
Reduced:	NS2C49H53 (1)
Stoich.:	AB2C49D53 (1)
Weight, g/mol:	511.251129
ΔH_f, kcal/mol:	194.64
Dipole, Da:	3.62
IP(EA), eV:	-8.21(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyclohex-2-en-1-ylspiro[1,2-didehydroxanthene-9,9'-2,3-dihydroxanthene]-3-yl)piperidine

Drug info:

PubChemData

Smile

C/C=C\C=C/CC/C=C\C=C/C(=C/S)/C1(C/C=C(\CCCSC2=CC=CC=C21)/C3=CC=CCC3)C4=CC=CC=C4/C=C/C=C/CNC5=CC=CC=C5

DOS

IR

Vibrations