Geometry & MOs

Info

ID:	344467
PubChem CID:	127267643
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	388.191069
ΔH_f, kcal/mol:	-58.68
Dipole, Da:	4.57
IP(EA), eV:	-8.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-fluorophenyl)oxan-4-yl]-[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)CC3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations