Geometry & MOs

Info

ID:	258055
PubChem CID:	103150446
Reduced:	BrOF2N3C8H10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	371.03062
ΔH_f, kcal/mol:	-114.21
Dipole, Da:	4.61
IP(EA), eV:	-9.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=C(C(=NC(=N1)CCOCC(F)F)N)Br

DOS

IR

Vibrations