Geometry & MOs

Info

ID:	280508
PubChem CID:	103849653
Reduced:	FON3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	322.06808
ΔH_f, kcal/mol:	6.34
Dipole, Da:	8.78
IP(EA), eV:	-9.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCOC2=C(C(=CC=C2)F)C#N

DOS

IR

Vibrations