Geometry & MOs

Info

ID:

414208

PubChem CID:

135087164

Reduced:

BrNH11C13 (1)

Stoich.:

ABC11D13 (1)

Weight, g/mol:

196.112624

ΔHf, kcal/mol:

54.65

Dipole, Da:

1.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.185922

Charge, e:

 1

Chem-info

IUPAC name:

[(2-methylphenyl)-phenylmethylidene]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=[NH2+])C2=CC=CC=C2Br

DOS

IR

Vibrations