Geometry & MOs

Info

ID:	258049
PubChem CID:	103150395
Reduced:	IOF2N3C13H20 (1)
Stoich.:	ABC2D3E13F20 (1)
Weight, g/mol:	365.09143
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	5.54
IP(EA), eV:	-9.09(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(C(=NC(=N1)CCOCC(F)F)NCC)I

DOS

IR

Vibrations