Geometry & MOs

Info

ID:

138178

PubChem CID:

52324439

Reduced:

NOC12H18 (1)

Stoich.:

ABC12D18 (1)

Weight, g/mol:

134.073652

ΔHf, kcal/mol:

18.07

Dipole, Da:

14.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.871955

Charge, e:

 1

Chem-info

IUPAC name:

[(1R,3R)-3-chlorocyclohexyl]azanium

Drug info:

PubChemData

Smile

C1C[NH2+]C[C@@]1(CCO)C2=CC=CC=C2

DOS

IR

Vibrations