Geometry & MOs

Info

ID:	406008
PubChem CID:	135076266
Reduced:	BrOF3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	267.02588
ΔH_f, kcal/mol:	-175.95
Dipole, Da:	6.1
IP(EA), eV:	-9.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromocyclohex-2-en-1-yl)oxy-2-methylpyridine

Drug info:

PubChemData

Smile

C1CC=C(C(C1)OC2=CC=C(C=C2)C(F)(F)F)Br

DOS

IR

Vibrations