Geometry & MOs

Info

ID:

193986

PubChem CID:

78464412

Reduced:

NO3C13H26 (1)

Stoich.:

AB3C13D26 (1)

Weight, g/mol:

184.133754

ΔHf, kcal/mol:

-150.72

Dipole, Da:

3.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755680

Charge, e:

 1

Chem-info

IUPAC name:

methyl 1-cyclohexylaziridin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1C[NH+]1C(C)(C)CO

DOS

IR

Vibrations