Geometry & MOs

Info

ID:	164300
PubChem CID:	74382792
Reduced:	ClN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	437.090912
ΔH_f, kcal/mol:	-121.54
Dipole, Da:	6.44
IP(EA), eV:	-8.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridin-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=CC=C2Cl)C3=NC=C(C=C3)N4CC(OC4=O)CO

DOS

IR

Vibrations