Geometry & MOs

Info

ID:	174512
PubChem CID:	75775695
Reduced:	FO3N6C25H27 (1)
Stoich.:	AB3C6D25E27 (1)
Weight, g/mol:	449.222703
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	6.3
IP(EA), eV:	-8.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-[1-[2-fluoro-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CN=CC=C4)F)C(=O)N5CCC(CC5)C(=O)N

DOS

IR

Vibrations