Geometry & MOs

Info

ID:	258060
PubChem CID:	103150488
Reduced:	OSF3N3C12H16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	363.07578
ΔH_f, kcal/mol:	-179.57
Dipole, Da:	7.04
IP(EA), eV:	-8.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC2=C1CSC2)CCOCC(F)(F)F

DOS

IR

Vibrations