Geometry & MOs

Info

ID:	155547
PubChem CID:	56365883
Reduced:	NOC13H16 (2)
Stoich.:	ABC13D16 (2)
Weight, g/mol:	467.224263
ΔH_f, kcal/mol:	-67.68
Dipole, Da:	6.22
IP(EA), eV:	-8.8(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1-benzoylpiperidin-4-yl)-propylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations