Geometry & MOs

Info

ID:	236489
PubChem CID:	92713446
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	412.15537
ΔH_f, kcal/mol:	-106.31
Dipole, Da:	1.68
IP(EA), eV:	-8.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[C@H](C2=CC=C(C=C2)OC)C3=C(C=C(N(C3=O)CC4=CC=CO4)C)O

DOS

IR

Vibrations