Geometry & MOs

Info

ID:	258056
PubChem CID:	103150457
Reduced:	IOF2N3C11H16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	339.01941
ΔH_f, kcal/mol:	-109.97
Dipole, Da:	5.44
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations