Geometry & MOs

Info

ID:	257552
PubChem CID:	103146979
Reduced:	F3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	248.077262
ΔH_f, kcal/mol:	-346.89
Dipole, Da:	6.54
IP(EA), eV:	-9.61(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminopyridin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C1COC2(CCOCC2)CC1C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations