Geometry & MOs

Info

ID:	68465
PubChem CID:	46508468
Reduced:	FN2O3H23C26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	448.162077
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	7.28
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations