Geometry & MOs

Info

ID:	258132
PubChem CID:	103151347
Reduced:	OSF2N2C11H18 (1)
Stoich.:	ABC2D2E11F18 (1)
Weight, g/mol:	279.083076
ΔH_f, kcal/mol:	-131.38
Dipole, Da:	3.2
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CN)C1=CSC(=N1)CCOCC(F)F

DOS

IR

Vibrations