Geometry & MOs

Info

ID:

163564

PubChem CID:

58036437

Reduced:

BON3C10H11 (1)

Stoich.:

ABC3D10E11 (1)

Weight, g/mol:

313.162452

ΔHf, kcal/mol:

51.03

Dipole, Da:

4.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756603

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1N(CCN1C2=NOC3=CC=CC=C32)C

DOS

IR

Vibrations