Geometry & MOs

Info

ID:	226077
PubChem CID:	87322636
Reduced:	ClF6N6H11C16 (1)
Stoich.:	AB6C6D11E16 (1)
Weight, g/mol:	436.063791
ΔH_f, kcal/mol:	-170.08
Dipole, Da:	8.09
IP(EA), eV:	-9.29(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-cyano-4-(3,3,3-trifluoroprop-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=N2)C(F)(F)F)Cl)C#N)C(=C)C(F)(F)F

DOS

IR

Vibrations