Geometry & MOs

Info

ID:	272141
PubChem CID:	103727595
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	242.026232
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	3.81
IP(EA), eV:	-8.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-(3-thiophen-2-yl-2H-1,2,4-oxadiazol-5-ylidene)pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CCSC1CCCC1NC(=O)C2=CC3=C(C=C2)NC=C3

DOS

IR

Vibrations