Geometry & MOs

Info

ID:	441945
PubChem CID:	135246881
Reduced:	BrN2O2F3H14C19 (1)
Stoich.:	AB2C2D3E14F19 (1)
Weight, g/mol:	330.9768
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	4.3
IP(EA), eV:	-9.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(5-bromopyrimidin-4-yl)oxypyridin-2-yl]-2,2-difluoroethanol

Drug info:

PubChemData

Smile

COC1=C(C=NC=C1C2=C(N=CC=C2)OC3=CC=C(C=C3)C(CF)(F)F)Br

DOS

IR

Vibrations