Geometry & MOs

Info

ID:

411556

PubChem CID:

135084388

Reduced:

ON4H5C8 (1)

Stoich.:

AB4C5D8 (1)

Weight, g/mol:

233.118257

ΔHf, kcal/mol:

78.16

Dipole, Da:

7.41

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.009235

Charge, e:

0

Chem-info

IUPAC name:

2-[(dimethylamino)methyl]-5,5-dimethylcyclohexane-1,3-dione;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C(=O)C(=CN2)[N+]#N)N=C1

DOS

IR

Vibrations