Geometry & MOs

Info

ID:	444307
PubChem CID:	135262017
Reduced:	FO3C5H9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	453.237604
ΔH_f, kcal/mol:	-191.05
Dipole, Da:	2.7
IP(EA), eV:	-10.08(0.39)
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]-3,3-dimethylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations