Geometry & MOs

Info

ID:	7478
PubChem CID:	73028
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	249.06689
ΔH_f, kcal/mol:	9.53
Dipole, Da:	5.0
IP(EA), eV:	-8.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC2=CC=CC=C2)Cl)C

DOS

IR

Vibrations