Geometry & MOs

Info

ID:	195535
PubChem CID:	78696469
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	425.189889
ΔH_f, kcal/mol:	-21.13
Dipole, Da:	8.06
IP(EA), eV:	-7.83(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzylpiperidin-1-ium-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)O

DOS

IR

Vibrations