Geometry & MOs

Info

ID:

134539

PubChem CID:

51711960

Reduced:

NO3C9H10 (1)

Stoich.:

AB3C9D10 (1)

Weight, g/mol:

142.159575

ΔHf, kcal/mol:

-42.61

Dipole, Da:

25.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.840879

Charge, e:

 1

Chem-info

IUPAC name:

[(1R,2R,3S)-2,3-dimethylcyclohexyl]-methylazanium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)OCCC(=O)[O-]

DOS

IR

Vibrations