Geometry & MOs

Info

ID:	248399
PubChem CID:	103081332
Reduced:	BrF2N3O3C9H10 (1)
Stoich.:	AB2C3D3E9F10 (1)
Weight, g/mol:	280.99753
ΔH_f, kcal/mol:	-122.87
Dipole, Da:	6.8
IP(EA), eV:	-9.57(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Br)NCCOCC(F)F)[N+](=O)[O-]

DOS

IR

Vibrations