Geometry & MOs

Info

ID:	146038
PubChem CID:	53626522
Reduced:	FSN2O2H15C21 (1)
Stoich.:	ABC2D2E15F21 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-18.26
Dipole, Da:	3.29
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C(=O)NC3=CN=CC=C3)CSC4=CC=CC=C4F

DOS

IR

Vibrations