Geometry & MOs

Info

ID:

125895

PubChem CID:

50942667

Reduced:

N3O3H8C10 (1)

Stoich.:

A3B3C8D10 (1)

Weight, g/mol:

254.22458

ΔHf, kcal/mol:

53.84

Dipole, Da:

6.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.261249

Charge, e:

 0

Chem-info

IUPAC name:

8-hydroxy-3,3-dimethyltetradec-1-en-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=C\[N+]#N)/O)[N+](=O)[O-]

DOS

IR

Vibrations