Geometry & MOs

Info

ID:	278728
PubChem CID:	103837291
Reduced:	ON4H10C14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	250.085461
ΔH_f, kcal/mol:	136.9
Dipole, Da:	11.24
IP(EA), eV:	-9.16(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[3-(4-methylphenyl)-2H-1,2,4-oxadiazol-5-ylidene]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=N/C(=C\3/C=CC(=N3)C#N)/ON2

DOS

IR

Vibrations