Geometry & MOs

Info

ID:	257610
PubChem CID:	103147346
Reduced:	F2N2O2C11H14 (1)
Stoich.:	A2B2C2D11E14 (1)
Weight, g/mol:	310.01285
ΔH_f, kcal/mol:	-163.44
Dipole, Da:	2.07
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-ethylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C1=CN=CC(=C1N)CC(=O)CCOCC(F)F

DOS

IR

Vibrations