Geometry & MOs

Info

ID:	344465
PubChem CID:	127267641
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	0.27
Dipole, Da:	4.78
IP(EA), eV:	-9.11(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluorophenyl)cyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CCCN3CC4=CC=CC=C4

DOS

IR

Vibrations