Geometry & MOs

Info

ID:	444298
PubChem CID:	135261977
Reduced:	F3O3C7H11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-288.85
Dipole, Da:	2.13
IP(EA), eV:	-10.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=C(CF)CF)CF.C(=O)(O)O

DOS

IR

Vibrations