Geometry & MOs

Info

ID:	264616
PubChem CID:	103476288
Reduced:	ION3F4C11H14 (1)
Stoich.:	ABC3D4E11F14 (1)
Weight, g/mol:	421.02742
ΔH_f, kcal/mol:	-205.81
Dipole, Da:	3.92
IP(EA), eV:	-9.21(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-6-(2-methylpropyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)COCC(C(F)F)(F)F)NC)I

DOS

IR

Vibrations