Geometry & MOs

Info

ID:	6398
PubChem CID:	68495
Reduced:	NO2F3H6C9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	217.035063
ΔH_f, kcal/mol:	-188.22
Dipole, Da:	6.34
IP(EA), eV:	-10.77(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)CC(=O)C(F)(F)F

DOS

IR

Vibrations