Geometry & MOs

Info

ID:	441894
PubChem CID:	135246527
Reduced:	BrOF3N3H5C10 (1)
Stoich.:	ABC3D3E5F10 (1)
Weight, g/mol:	322.04292
ΔH_f, kcal/mol:	-99.34
Dipole, Da:	7.2
IP(EA), eV:	-9.99(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromopyridin-2-yl)oxy-N-methyl-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)OC2=CN=C(N=C2)C(F)(F)F)Br

DOS

IR

Vibrations