Geometry & MOs

Info

ID:	72561
PubChem CID:	48416306
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	406.120796
ΔH_f, kcal/mol:	-129.1
Dipole, Da:	4.28
IP(EA), eV:	-9.09(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations