Geometry & MOs

Info

ID:	25017
PubChem CID:	616660
Reduced:	ClION4C10H10 (1)
Stoich.:	ABCD4E10F10 (1)
Weight, g/mol:	363.95879
ΔH_f, kcal/mol:	49.6
Dipole, Da:	4.27
IP(EA), eV:	-9.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(=O)C2=NN(C=C2I)C)C)Cl

DOS

IR

Vibrations