Geometry & MOs

Info

ID:	278723
PubChem CID:	103837248
Reduced:	N2F3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	6.09
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCCCCC(F)(F)F)C#N

DOS

IR

Vibrations