Geometry & MOs

Info

ID:	318381
PubChem CID:	126651014
Reduced:	ClO2N4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	32.7
Dipole, Da:	3.07
IP(EA), eV:	-9.49(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-tert-butyl-4-(3-methyl-2H-1,2,4-oxadiazol-5-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN1C(=NNC1=O)COC2=C(C=C(C(=C2)Cl)C#N)C3=CC=CC=C3

DOS

IR

Vibrations