Geometry & MOs

Info

ID:

413903

PubChem CID:

135086854

Reduced:

N2C9H11 (1)

Stoich.:

A2B9C11 (1)

Weight, g/mol:

186.98709

ΔHf, kcal/mol:

31.65

Dipole, Da:

0.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.834967

Charge, e:

 1

Chem-info

IUPAC name:

(3-bromoanilino)azanium

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[NH+]=C(C2)N

DOS

IR

Vibrations