Geometry & MOs

Info

ID:	391753
PubChem CID:	135009206
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-112.52
Dipole, Da:	5.19
IP(EA), eV:	-10.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,4S,5S)-5-hydroxy-4-(2-hydroxy-4,6-dimethylphenyl)oct-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C2CCCCC2=O)[N+](=O)[O-]

DOS

IR

Vibrations