Geometry & MOs

Info

ID:	258051
PubChem CID:	103150421
Reduced:	IOF3N3C13H19 (1)
Stoich.:	ABC3D3E13F19 (1)
Weight, g/mol:	341.03506
ΔH_f, kcal/mol:	-179.43
Dipole, Da:	6.09
IP(EA), eV:	-9.1(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1I)CC)CCOCC(F)(F)F

DOS

IR

Vibrations