Geometry & MOs

Info

ID:	203141
PubChem CID:	79784154
Reduced:	IF2N2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	427.9344
ΔH_f, kcal/mol:	12.74
Dipole, Da:	1.84
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-dichlorophenyl)methyl]-4-(2-iodophenyl)pyrazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CN(N=C2)CC3=C(C=C(C=C3)F)F)I

DOS

IR

Vibrations