Geometry & MOs

Info

ID:	182058
PubChem CID:	76834460
Reduced:	Cl2N2O2C25H30 (1)
Stoich.:	A2B2C2D25E30 (1)
Weight, g/mol:	472.132048
ΔH_f, kcal/mol:	-52.17
Dipole, Da:	3.08
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl]methyl]-4H-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CCC(COC)N1C(C(CC(C1=O)(C)CC=C)C2=CC(=CC=C2)Cl)C3=NC=C(C=C3)Cl

DOS

IR

Vibrations