Geometry & MOs

Info

ID:	404262
PubChem CID:	135065627
Reduced:	ClH3C4N4O4 (1)
Stoich.:	AB3C4D4E4 (1)
Weight, g/mol:	226.006454
ΔH_f, kcal/mol:	42.43
Dipole, Da:	8.87
IP(EA), eV:	-11.02(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(2-chlorophenyl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)[N+](=O)[O-])[N+](=O)[O-])Cl

DOS

IR

Vibrations