Geometry & MOs

Info

ID:	137099
PubChem CID:	52151546
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	16.26
IP(EA), eV:	-8.31(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N([C@H]1C2=CN=CC=C2)CC[NH+]3CCCC3)[O-]

DOS

IR

Vibrations