Geometry & MOs

Info

ID:

50728

PubChem CID:

12013312

Reduced:

ClHNC2 (1)

Stoich.:

ABCD2 (1)

Weight, g/mol:

191.050177

ΔHf, kcal/mol:

46.57

Dipole, Da:

2.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.773243

Charge, e:

 0

Chem-info

IUPAC name:

10-chlorotricyclo[4.3.1.01,6]deca-2,4-diene-10-carbonitrile

Drug info:

PubChemData

Smile

C(=C=[N])Cl

DOS

IR

Vibrations