Geometry & MOs

Info

ID:	245514
PubChem CID:	99453648
Reduced:	O3N4H28C30 (1)
Stoich.:	A3B4C28D30 (1)
Weight, g/mol:	444.150764
ΔH_f, kcal/mol:	-1.14
Dipole, Da:	4.07
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenoxyacetyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CCC3=NC4=CC=CC=C4N3C5=CC=CC=C5

DOS

IR

Vibrations