Geometry & MOs

Info

ID:

14518

PubChem CID:

413546

Reduced:

N2C25H35 (1)

Stoich.:

A2B25C35 (1)

Weight, g/mol:

363.280024

ΔHf, kcal/mol:

64.04

Dipole, Da:

2.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752969

Charge, e:

 1

Chem-info

IUPAC name:

2-benzyl-1-heptyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium

Drug info:

PubChemData

Smile

CCCCCCC[N+]1(CCN=C1CC2=CC=CC=C2)CCC3=CC=CC=C3

DOS

IR

Vibrations