Geometry & MOs

Info

ID:	126437
PubChem CID:	50965022
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-80.99
Dipole, Da:	0.94
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)N2CCCC3(CC2)C=CC4=CC=CC=C4O3)COC

DOS

IR

Vibrations