Geometry & MOs

Info

ID:	230190
PubChem CID:	87570388
Reduced:	BrF3C8H10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	446.869472
ΔH_f, kcal/mol:	-136.74
Dipole, Da:	1.04
IP(EA), eV:	-10.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carboxy-[2-methyl-4,5-bis(2,2,2-trichloroethyl)pyrazol-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C/C=C(/C(C(CC=C)Br)(F)F)\F

DOS

IR

Vibrations