Geometry & MOs

Info

ID:	136464
PubChem CID:	52046368
Reduced:	FO2N5C28H34 (1)
Stoich.:	AB2C5D28E34 (1)
Weight, g/mol:	493.248918
ΔH_f, kcal/mol:	-33.91
Dipole, Da:	3.18
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCC[C@H](C3)C(=O)N4CCN([C@@H](C4)C)C5=CC=CC(=C5)C)F

DOS

IR

Vibrations