Geometry & MOs

Info

ID:	365692
PubChem CID:	127318417
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	32.39
Dipole, Da:	2.61
IP(EA), eV:	-9.33(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one

Drug info:

PubChemData

Smile

C1COCCC1C2=NOC(=N2)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations