Geometry & MOs

Info

ID:	366908
PubChem CID:	127321833
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-17.14
Dipole, Da:	3.63
IP(EA), eV:	-8.98(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations