Geometry & MOs

Info

ID:	353595
PubChem CID:	127285172
Reduced:	SO2N6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	18.56
Dipole, Da:	4.94
IP(EA), eV:	-9.71(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(imidazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=NN=N4

DOS

IR

Vibrations