Geometry & MOs

Info

ID:	68462
PubChem CID:	46508460
Reduced:	N3O3H21C26 (1)
Stoich.:	A3B3C21D26 (1)
Weight, g/mol:	478.136257
ΔH_f, kcal/mol:	13.84
Dipole, Da:	2.8
IP(EA), eV:	-9.21(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-1-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NC(C)C4=CC5=CC=CC=C5O4

DOS

IR

Vibrations