Geometry & MOs

Info

ID:	45608
PubChem CID:	10515536
Reduced:	NH6F7C9 (1)
Stoich.:	AB6C7D9 (1)
Weight, g/mol:	260.05243
ΔH_f, kcal/mol:	-333.6
Dipole, Da:	3.8
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromoethyl)-1,3-dimethyl-5-propan-2-yloxypyrazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations