Geometry & MOs

Info

ID:

465

PubChem CID:

2798

Reduced:

ClNC21H37 (1)

Stoich.:

ABC21D37 (1)

Weight, g/mol:

338.261453

ΔHf, kcal/mol:

-15.81

Dipole, Da:

2.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750805

Charge, e:

 1

Chem-info

IUPAC name:

4-(4-chlorophenyl)butyl-diethyl-heptylazanium

Drug info:

PubChemData

Smile

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations