Geometry & MOs

Info

ID:

85609

PubChem CID:

49877649

Reduced:

ClN2O3C12H14 (1)

Stoich.:

AB2C3D12E14 (1)

Weight, g/mol:

246.137315

ΔHf, kcal/mol:

-77.15

Dipole, Da:

2.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.093299

Charge, e:

 -1

Chem-info

IUPAC name:

N-cyclohexylpiperazine-1-carboxamide;chloride

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)OCO3.[Cl-]

DOS

IR

Vibrations