Geometry & MOs

Info

ID:	45437
PubChem CID:	10513376
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	226.084124
ΔH_f, kcal/mol:	-161.11
Dipole, Da:	7.12
IP(EA), eV:	-8.58(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4R,6S,7R,9S,11S)-1-methoxy-11-methyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=CC(=O)C(=C1C)O

DOS

IR

Vibrations