Geometry & MOs

Info

ID:	68670
PubChem CID:	46508872
Reduced:	ClN4O5C23H29 (1)
Stoich.:	AB4C5D23E29 (1)
Weight, g/mol:	400.222289
ΔH_f, kcal/mol:	-195.98
Dipole, Da:	4.17
IP(EA), eV:	-9.19(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)CC2=CC(=O)OC3=C2C=C(C(=C3)CC)Cl)N

DOS

IR

Vibrations