Geometry & MOs

Info

ID:

413558

PubChem CID:

135086507

Reduced:

ClN2O2H8C10 (1)

Stoich.:

AB2C2D8E10 (1)

Weight, g/mol:

345.96928

ΔHf, kcal/mol:

21.25

Dipole, Da:

3.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.869616

Charge, e:

 0

Chem-info

IUPAC name:

bis(5-bromopentyl)-chloroborane

Drug info:

PubChemData

Smile

C=CC1=[N+](NOC1=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations