Geometry & MOs

Info

ID:	258047
PubChem CID:	103150365
Reduced:	OF3N3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	337.06013
ΔH_f, kcal/mol:	-166.96
Dipole, Da:	4.63
IP(EA), eV:	-9.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)CCOCC(F)F)N)F

DOS

IR

Vibrations