Geometry & MOs

Info

ID:	344460
PubChem CID:	127267636
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-45.19
Dipole, Da:	2.81
IP(EA), eV:	-9.34(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-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)C3CCCN3C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations