Geometry & MOs

Info

ID:	260175
PubChem CID:	103183806
Reduced:	N2F3O3C11H15 (1)
Stoich.:	A2B3C3D11E15 (1)
Weight, g/mol:	288.160456
ΔH_f, kcal/mol:	-236.76
Dipole, Da:	7.51
IP(EA), eV:	-10.11(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-3,5-diethyl-1-[2-(3-methoxypropoxy)ethyl]pyrazole

Drug info:

PubChemData

Smile

COCCCOCCN1C=C(C=N1)C(=O)C(F)(F)F

DOS

IR

Vibrations