Geometry & MOs

Info

ID:

413389

PubChem CID:

135086338

Reduced:

ClN4H10C12 (1)

Stoich.:

AB4C10D12 (1)

Weight, g/mol:

154.042352

ΔHf, kcal/mol:

122.06

Dipole, Da:

2.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.094180

Charge, e:

 1

Chem-info

IUPAC name:

1-(3-chlorophenyl)ethylideneazanium

Drug info:

PubChemData

Smile

C[N+]1=C(C=CC(=C1)C2=CC=CC=C2N=[N+]=[N-])Cl

DOS

IR

Vibrations