Geometry & MOs

Info

ID:	68651
PubChem CID:	46508838
Reduced:	Cl2O2N5C22H23 (1)
Stoich.:	A2B2C5D22E23 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	13.21
Dipole, Da:	2.88
IP(EA), eV:	-9.24(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC(=O)NC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations