Geometry & MOs

Info

ID:

395193

PubChem CID:

135024885

Reduced:

BH2O2 (1)

Stoich.:

AB2C2 (1)

Weight, g/mol:

279.108171

ΔHf, kcal/mol:

-90.83

Dipole, Da:

0.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.770082

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dibenzylthiophen-2-amine

Drug info:

PubChemData

Smile

B(O)[O-]

DOS

IR

Vibrations