Geometry & MOs

Info

ID:	372388
PubChem CID:	131296808
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	2.43
IP(EA), eV:	-10.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(aminomethyl)-1,2,4-oxadiazol-3-ylidene]-2,3-dimethylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CCC\2(C1)CC/C2=C/C(=O)O

DOS

IR

Vibrations