Geometry & MOs

Info

ID:	217461
PubChem CID:	85087859
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	3.48
IP(EA), eV:	-9.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1CC(=O)N(CN1C(=O)OCC2=CC=CC=C2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations