Geometry & MOs

Info

ID:	236490
PubChem CID:	92713453
Reduced:	ClN2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	412.15537
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	8.32
IP(EA), eV:	-8.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CC2=CC=CO2)[C@H](C3=CC(=CC=C3)Cl)N4CCCCC4)O

DOS

IR

Vibrations