Geometry & MOs

Info

ID:	155052
PubChem CID:	56320468
Reduced:	FO2N4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	433.18017
ΔH_f, kcal/mol:	2.81
Dipole, Da:	2.68
IP(EA), eV:	-8.88(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-6,7-dimethylchromen-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations