Geometry & MOs

Info

ID:	29129
PubChem CID:	831762
Reduced:	ON3F4H9C12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	287.02694
ΔH_f, kcal/mol:	-178.9
Dipole, Da:	1.18
IP(EA), eV:	-9.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)F

DOS

IR

Vibrations