Geometry & MOs

Info

ID:	271831
PubChem CID:	103693530
Reduced:	ClNOBr2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	321.97287
ΔH_f, kcal/mol:	18.22
Dipole, Da:	3.37
IP(EA), eV:	-9.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(bromomethyl)-2-fluorophenyl]-4-(trifluoromethyl)pyrazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Br)C(=O)CC2=C(C=NC=C2)Cl

DOS

IR

Vibrations