Geometry & MOs

Info

ID:	294883
PubChem CID:	117502288
Reduced:	BrClON3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	316.042626
ΔH_f, kcal/mol:	20.91
Dipole, Da:	4.39
IP(EA), eV:	-8.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=CC(=C2)Br)Cl)OC)N

DOS

IR

Vibrations