Geometry & MOs

Info

ID:	243185
PubChem CID:	99216662
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	387.207053
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	2.62
IP(EA), eV:	-8.44(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CNC(=O)N1C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCC[C@H](C4)C(=O)N

DOS

IR

Vibrations