Geometry & MOs

Info

ID:

50731

PubChem CID:

12013315

Reduced:

ClN2H6C7 (1)

Stoich.:

AB2C6D7 (1)

Weight, g/mol:

82.041865

ΔHf, kcal/mol:

75.18

Dipole, Da:

1.83

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.188986

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)C(=C=N)Cl

DOS

IR

Vibrations