Geometry & MOs

Info

ID:

16144

PubChem CID:

460170

Reduced:

NOH10C13 (1)

Stoich.:

ABC10D13 (1)

Weight, g/mol:

196.076239

ΔHf, kcal/mol:

71.77

Dipole, Da:

1.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.849117

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C=CC(=O)[C]2[CH][CH][CH][CH]2

DOS

IR

Vibrations