Geometry & MOs

Info

ID:	278727
PubChem CID:	103837281
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	250.085461
ΔH_f, kcal/mol:	47.82
Dipole, Da:	1.68
IP(EA), eV:	-8.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1C2=NC(=NO2)C3=CC(=CC=C3)N)C

DOS

IR

Vibrations