Geometry & MOs

Info

ID:	226091
PubChem CID:	87322652
Reduced:	OCl2F5N5H10C16 (1)
Stoich.:	AB2C5D5E10F16 (1)
Weight, g/mol:	468.98228
ΔH_f, kcal/mol:	-171.95
Dipole, Da:	10.97
IP(EA), eV:	-9.52(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-cyano-2-[2,6-difluoro-4-(trifluoromethyl)phenyl]-4-iodopyrazol-3-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CN(C)C=NC1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)C(=O)C(F)F

DOS

IR

Vibrations