Geometry & MOs

Info

ID:	123273
PubChem CID:	50840180
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	413.096476
ΔH_f, kcal/mol:	-23.46
Dipole, Da:	6.49
IP(EA), eV:	-8.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CC4=C3N(N=C4C)C

DOS

IR

Vibrations