Geometry & MOs

Info

ID:	238679
PubChem CID:	92765058
Reduced:	FO2N5C28H30 (1)
Stoich.:	AB2C5D28E30 (1)
Weight, g/mol:	487.238353
ΔH_f, kcal/mol:	9.66
Dipole, Da:	4.99
IP(EA), eV:	-7.71(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CCN[C@H](C3=CC=CC=C3F)C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations