Geometry & MOs

Info

ID:	164301
PubChem CID:	74382793
Reduced:	Cl2N3O4C20H21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-128.56
Dipole, Da:	5.77
IP(EA), eV:	-8.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[5-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]pyridin-2-yl]piperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=C(C=CC(=C2)Cl)Cl)C3=NC=C(C=C3)N4CC(OC4=O)CO

DOS

IR

Vibrations