Geometry & MOs

Info

ID:	344602
PubChem CID:	127268186
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	371.175753
ΔH_f, kcal/mol:	-74.33
Dipole, Da:	3.51
IP(EA), eV:	-9.03(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCC(C2)C

DOS

IR

Vibrations