Geometry & MOs

Info

ID:	388348
PubChem CID:	134988858
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-109.51
Dipole, Da:	3.58
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-ethenyl-3-ethylspiro[3.4]octan-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)/C=C/C=C/CC2OCCO2

DOS

IR

Vibrations