Geometry & MOs

Info

ID:	283297
PubChem CID:	103972017
Reduced:	SO2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	36.6
Dipole, Da:	1.64
IP(EA), eV:	-8.92(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-2-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COC(CN1)C2=NOC(=N2)C3=CSC4=CC=CC=C43

DOS

IR

Vibrations