Geometry & MOs

Info

ID:	442490
PubChem CID:	135252402
Reduced:	FION3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	344.077262
ΔH_f, kcal/mol:	-42.95
Dipole, Da:	3.88
IP(EA), eV:	-8.94(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-pyridin-2-ylpyridin-2-yl)-[4-(trifluoromethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C(C2=CC=CC=C2F)N)I

DOS

IR

Vibrations