Geometry & MOs

Info

ID:

215915

PubChem CID:

85085437

Reduced:

O2N3C9H12 (1)

Stoich.:

A2B3C9D12 (1)

Weight, g/mol:

194.057909

ΔHf, kcal/mol:

-50.08

Dipole, Da:

5.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755167

Charge, e:

 0

Chem-info

IUPAC name:

cyclodec-7-en-5,9-diyne-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

CC[N+]1=C(C(C(=O)N(C1=O)C)C#N)C

DOS

IR

Vibrations