Geometry & MOs

Info

ID:	215986
PubChem CID:	85085541
Reduced:	OH12C15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	45.51
Dipole, Da:	3.85
IP(EA), eV:	-9.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

C1=CC=C2C3C4C=CC(C3C2=C1)C=CC4=O

DOS

IR

Vibrations