Geometry & MOs

Info

ID:	410991
PubChem CID:	135083796
Reduced:	NO4C7H13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	346.00659
ΔH_f, kcal/mol:	-88.34
Dipole, Da:	7.61
IP(EA), eV:	-10.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8S)-8-iodo-5-methyl-1-(3-methyl-2-oxobut-3-enyl)-6-oxabicyclo[3.2.1]oct-2-en-7-one

Drug info:

PubChemData

Smile

CCOC(/C=C/[N+](=O)[O-])OCC

DOS

IR

Vibrations