Geometry & MOs

Info

ID:

27357

PubChem CID:

820902

Reduced:

BrNH11C13 (1)

Stoich.:

ABC11D13 (1)

Weight, g/mol:

216.058002

ΔHf, kcal/mol:

75.37

Dipole, Da:

0.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.055432

Charge, e:

 1

Chem-info

IUPAC name:

1-[1-(2-chlorophenyl)ethenyl]pyridin-1-ium

Drug info:

PubChemData

Smile

C=C(C1=CC=C(C=C1)Br)[N+]2=CC=CC=C2

DOS

IR

Vibrations