Geometry & MOs

Info

ID:	258052
PubChem CID:	103150422
Reduced:	BrOF3N3C11H15 (1)
Stoich.:	ABC3D3E11F15 (1)
Weight, g/mol:	357.02997
ΔH_f, kcal/mol:	-190.03
Dipole, Da:	5.23
IP(EA), eV:	-9.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(methoxymethyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NC(=N1)CCOCC(F)(F)F)N)Br

DOS

IR

Vibrations