Geometry & MOs

Info

ID:	411436
PubChem CID:	135084267
Reduced:	OBr2H8C13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	246.01716
ΔH_f, kcal/mol:	34.55
Dipole, Da:	3.5
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)C=C(Br)Br

DOS

IR

Vibrations