Geometry & MOs

Info

ID:	372607
PubChem CID:	131300748
Reduced:	ClN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	269.99795
ΔH_f, kcal/mol:	-56.7
Dipole, Da:	3.03
IP(EA), eV:	-9.43(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-bromo-4,4,4-trifluorobutyl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(C2COCCO2)Cl

DOS

IR

Vibrations