Geometry & MOs

Info

ID:

407803

PubChem CID:

135080558

Reduced:

Cl2N2C11H11 (1)

Stoich.:

A2B2C11D11 (1)

Weight, g/mol:

204.162649

ΔHf, kcal/mol:

45.68

Dipole, Da:

1.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.924486

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1Z,3E)-deca-1,3-dienyl]pyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=[N+](N1)C2=CC=C(C=C2)Cl)C)Cl

DOS

IR

Vibrations