Geometry & MOs

Info

ID:	441928
PubChem CID:	135246747
Reduced:	ON3F5H12C18 (1)
Stoich.:	AB3C5D12E18 (1)
Weight, g/mol:	349.176582
ΔH_f, kcal/mol:	-192.83
Dipole, Da:	4.17
IP(EA), eV:	-9.82(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z,2Z)-2-ethylidene-6,6,6-trifluorohex-3-enyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyridine

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1F)F)C2=CN=CN=C2OC3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations