Geometry & MOs

Info

ID:	302069
PubChem CID:	124349188
Reduced:	ClN2O6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-109.03
Dipole, Da:	4.56
IP(EA), eV:	-9.23(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5E,9E)-cyclododeca-5,9-diene-1,2-diol

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations