Geometry & MOs

Info

ID:	226080
PubChem CID:	87322639
Reduced:	Cl2F5N5H12C17 (1)
Stoich.:	A2B5C5D12E17 (1)
Weight, g/mol:	451.038992
ΔH_f, kcal/mol:	-137.04
Dipole, Da:	7.8
IP(EA), eV:	-9.48(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(3,3-difluoroprop-1-en-2-yl)pyrazol-3-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CN(C)/C=N\C1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)C(=C)C(F)F

DOS

IR

Vibrations