Geometry & MOs

Info

ID:	139496
PubChem CID:	52542714
Reduced:	BrFO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-69.63
Dipole, Da:	2.44
IP(EA), eV:	-9.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]1C(=O)OCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations