Geometry & MOs

Info

ID:	250437
PubChem CID:	103096591
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	288.03017
ΔH_f, kcal/mol:	-18.29
Dipole, Da:	3.25
IP(EA), eV:	-9.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[3-(3-chlorophenyl)-2H-1,2,4-oxadiazol-5-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CC2=CC=CC=C2)O

DOS

IR

Vibrations