Geometry & MOs

Info

ID:

176187

PubChem CID:

76007000

Reduced:

N2O7H28C29 (1)

Stoich.:

A2B7C28D29 (1)

Weight, g/mol:

360.157288

ΔHf, kcal/mol:

-152.85

Dipole, Da:

2.98

IP(EA), eV:

 -8.3(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-hydroxy-6',6'-dimethyl-10-methylidene-2,3',11-trioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-carbaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CN(C(=O)N2C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)OC

DOS

IR

Vibrations