Geometry & MOs

Info

ID:	433966
PubChem CID:	135174113
Reduced:	ClON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	247.141973
ΔH_f, kcal/mol:	16.67
Dipole, Da:	2.46
IP(EA), eV:	-8.84(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-1-[hydroxy(3-methylbutan-2-yloxy)methoxy]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations