Geometry & MOs

Info

ID:	79044
PubChem CID:	49746516
Reduced:	OS2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	105.69
Dipole, Da:	2.73
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4-ethoxy-3-methoxyphenyl)methyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C(CN1CC2=CSC=C2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations