Geometry & MOs

Info

ID:	72568
PubChem CID:	48416314
Reduced:	F3N3O3C18H22 (1)
Stoich.:	A3B3C3D18E22 (1)
Weight, g/mol:	419.152431
ΔH_f, kcal/mol:	-267.54
Dipole, Da:	3.39
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)COCC(F)(F)F)N3CCNC3=O

DOS

IR

Vibrations