Geometry & MOs

Info

ID:	258027
PubChem CID:	103150062
Reduced:	OSN2F3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	292.103477
ΔH_f, kcal/mol:	-150.86
Dipole, Da:	4.77
IP(EA), eV:	-8.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)CCOCC(F)(F)F)N

DOS

IR

Vibrations