Geometry & MOs

Info

ID:	367924
PubChem CID:	127326098
Reduced:	N3O4C21H37 (1)
Stoich.:	A3B4C21D37 (1)
Weight, g/mol:	376.191069
ΔH_f, kcal/mol:	-213.12
Dipole, Da:	3.98
IP(EA), eV:	-9.04(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2CCN(CC2)C(=O)CN3CCCC(C3)OCCO

DOS

IR

Vibrations