Geometry & MOs

Info

ID:	258081
PubChem CID:	103150757
Reduced:	OF3N3C13H20 (1)
Stoich.:	AB3C3D13E20 (1)
Weight, g/mol:	264.072177
ΔH_f, kcal/mol:	-191.19
Dipole, Da:	5.81
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(C)C1=CN=C(N=C1C)CCOCC(F)(F)F

DOS

IR

Vibrations