Geometry & MOs

Info

ID:	392126
PubChem CID:	135013177
Reduced:	IO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	47.69
Dipole, Da:	3.27
IP(EA), eV:	-9.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,5S,12R)-4,19-dioxahexacyclo[10.6.1.02,15.05,14.06,11.013,18]nonadeca-6,8,10-trien-3-yl]ethanol

Drug info:

PubChemData

Smile

C1C2C3[C@H](C=CC4C3C1C(C2I)O4)O

DOS

IR

Vibrations