Geometry & MOs

Info

ID:

2026

PubChem CID:

5616

Reduced:

ON3C21H36 (1)

Stoich.:

AB3C21D36 (1)

Weight, g/mol:

346.285838

ΔHf, kcal/mol:

-39.89

Dipole, Da:

6.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767825

Charge, e:

 1

Chem-info

IUPAC name:

2-adamantyl-(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)azanium

Drug info:

PubChemData

Smile

C1CCC(CC1)N=C([NH2+]C2C3CC4CC(C3)CC2C4)N5CCOCC5

DOS

IR

Vibrations