Geometry & MOs

Info

ID:	258057
PubChem CID:	103150459
Reduced:	BrOF3N3C11H13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	301.196569
ΔH_f, kcal/mol:	-158.24
Dipole, Da:	5.74
IP(EA), eV:	-9.52(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-difluoroethoxy)ethyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NC(=N2)CCOCC(F)(F)F)N)Br

DOS

IR

Vibrations