Geometry & MOs

Info

ID:	272142
PubChem CID:	103727648
Reduced:	OSN4H6C11 (1)
Stoich.:	ABC4D6E11 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	148.6
Dipole, Da:	10.75
IP(EA), eV:	-9.23(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=N/C(=C\3/C=C(C=N3)C#N)/ON2

DOS

IR

Vibrations