Geometry & MOs

Info

ID:	372606
PubChem CID:	131300723
Reduced:	ON2F3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	216.066555
ΔH_f, kcal/mol:	-138.01
Dipole, Da:	5.4
IP(EA), eV:	-9.51(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[chloro(1,4-dioxan-2-yl)methyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(C#N)(C(F)(F)F)N

DOS

IR

Vibrations