Geometry & MOs

Info

ID:	294402
PubChem CID:	117459163
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	285.058341
ΔH_f, kcal/mol:	0.26
Dipole, Da:	0.55
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1-methylpyrazol-4-yl)-4-fluoro-5-methylsulfonylphenol

Drug info:

PubChemData

Smile

CN1CCC(C1)C2=C(C=C(C=C2)CNO)Br

DOS

IR

Vibrations