Geometry & MOs

Info

ID:

11338

PubChem CID:

114131

Reduced:

NH18C19 (1)

Stoich.:

AB18C19 (1)

Weight, g/mol:

260.143925

ΔHf, kcal/mol:

75.51

Dipole, Da:

2.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.956248

Charge, e:

 1

Chem-info

IUPAC name:

1-[(4-benzylphenyl)methyl]pyridin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC=C3

DOS

IR

Vibrations