Geometry & MOs

Info

ID:	258061
PubChem CID:	103150498
Reduced:	BrOF2N3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	411.06192
ΔH_f, kcal/mol:	-133.61
Dipole, Da:	4.84
IP(EA), eV:	-9.17(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1Br)C2CCCC2)CCOCC(F)F

DOS

IR

Vibrations