Geometry & MOs

Info

ID:	68637
PubChem CID:	46508816
Reduced:	N5O5C25H37 (1)
Stoich.:	A5B5C25D37 (1)
Weight, g/mol:	437.222703
ΔH_f, kcal/mol:	-205.07
Dipole, Da:	5.73
IP(EA), eV:	-8.35(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN(CC(=O)NC(C)C1=CC2=C(C=C1)OCCO2)C3=C(N(C(=O)NC3=O)CCCC)N

DOS

IR

Vibrations