Geometry & MOs

Info

ID:	268222
PubChem CID:	103598454
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	3.81
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenoxypiperidin-1-yl)-3-pyridin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)N2CCC(CC2)OC3=CC=CC=C3

DOS

IR

Vibrations