Geometry & MOs

Info

ID:	129677
PubChem CID:	51073542
Reduced:	OS2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	207.010248
ΔH_f, kcal/mol:	88.08
Dipole, Da:	2.12
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CN(CC1=CSC=C1)CC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations