Geometry & MOs

Info

ID:	294460
PubChem CID:	117462212
Reduced:	BrClN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	286.032062
ΔH_f, kcal/mol:	52.88
Dipole, Da:	1.39
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-2,6-difluoro-5-methylphenyl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C(C=CC=C2Br)Cl)N

DOS

IR

Vibrations