Geometry & MOs

Info

ID:	203142
PubChem CID:	79784155
Reduced:	ICl2N2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	344.04979
ΔH_f, kcal/mol:	88.94
Dipole, Da:	3.41
IP(EA), eV:	-9.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations