Geometry & MOs

Info

ID:	245913
PubChem CID:	103027920
Reduced:	BrClON2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	246.103814
ΔH_f, kcal/mol:	4.33
Dipole, Da:	4.49
IP(EA), eV:	-9.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(C2=C(C(=CC=C2)Br)Cl)O

DOS

IR

Vibrations