Geometry & MOs

Info

ID:	72923
PubChem CID:	48416687
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	399.207053
ΔH_f, kcal/mol:	-141.15
Dipole, Da:	8.35
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations