Geometry & MOs

Info

ID:

407522

PubChem CID:

135080268

Reduced:

N3C8H8 (1)

Stoich.:

A3B8C8 (1)

Weight, g/mol:

224.017497

ΔHf, kcal/mol:

73.5

Dipole, Da:

3.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.966194

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-1-methyl-5-phenylsulfanylpyrazole

Drug info:

PubChemData

Smile

C1=CC(=C[NH+]=C1)C2=CC=NN2

DOS

IR

Vibrations