Geometry & MOs

Info

ID:	184671
PubChem CID:	77191160
Reduced:	SO4N5C26H29 (1)
Stoich.:	AB4C5D26E29 (1)
Weight, g/mol:	357.230394
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	0.54
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-cyclohexyloxyethoxy)phenyl]-1-piperidin-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2)C(=O)NC3CCC(CC3=NC(=O)C4=NC5=C(S4)CN(CC5)C)C(=O)OC

DOS

IR

Vibrations