Geometry & MOs

Info

ID:	122002
PubChem CID:	50789315
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	349.272927
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	4.69
IP(EA), eV:	-9.14(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CCCN1CCN(C1=O)C2CCN(CC2)C(=O)CC3=CC=CS3

DOS

IR

Vibrations