Geometry & MOs

Info

ID:

408756

PubChem CID:

135081524

Reduced:

O2N6C17H21 (1)

Stoich.:

A2B6C17D21 (1)

Weight, g/mol:

149.052233

ΔHf, kcal/mol:

3.73

Dipole, Da:

8.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.905623

Charge, e:

 1

Chem-info

IUPAC name:

4-boronobenzenediazonium

Drug info:

PubChemData

Smile

CCCCCCNC(=O)NC1=NC(=O)C=C(N1)C2=CC=C(C=C2)[N+]#N

DOS

IR

Vibrations