Geometry & MOs

Info

ID:	277240
PubChem CID:	103827443
Reduced:	OSN4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	277.085127
ΔH_f, kcal/mol:	101.26
Dipole, Da:	3.03
IP(EA), eV:	-9.34(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=NC(=NO2)CC3=NC(=CS3)C

DOS

IR

Vibrations