Geometry & MOs

Info

ID:	278725
PubChem CID:	103837264
Reduced:	ON4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	252.064726
ΔH_f, kcal/mol:	100.38
Dipole, Da:	10.75
IP(EA), eV:	-9.14(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C2=N/C(=C/3\C=CC(=N3)C#N)/ON2

DOS

IR

Vibrations