Geometry & MOs

Info

ID:	267669
PubChem CID:	103583760
Reduced:	BrClFN2O3H5C11 (1)
Stoich.:	ABCD2E3F5G11 (1)
Weight, g/mol:	300.96175
ΔH_f, kcal/mol:	-19.72
Dipole, Da:	3.78
IP(EA), eV:	-9.61(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-2-(1-ethylpyrazol-4-yl)oxypyridine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)OC2=C(C=C(C=N2)Br)Cl)[N+](=O)[O-]

DOS

IR

Vibrations