Geometry & MOs

Info

ID:	72918
PubChem CID:	48416682
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	409.1001
ΔH_f, kcal/mol:	-74.05
Dipole, Da:	4.43
IP(EA), eV:	-9.35(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(2-bromophenoxy)butanoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CS3)N4CCNC4=O

DOS

IR

Vibrations