Geometry & MOs

Info

ID:	441946
PubChem CID:	135246886
Reduced:	BrF2O2N3H8C11 (1)
Stoich.:	AB2C2D3E8F11 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	3.13
IP(EA), eV:	-10.17(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[5-(3-bromopyridin-2-yl)oxypyrimidin-2-yl]-methylamino]acetate

Drug info:

PubChemData

Smile

C1=CC(=NC=C1OC2=NC=NC=C2Br)C(CO)(F)F

DOS

IR

Vibrations