Geometry & MOs

Info

ID:	372387
PubChem CID:	131296785
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	3.89
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-spiro[3.4]octan-3-ylideneacetic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)OCCC2(C#N)O

DOS

IR

Vibrations