Geometry & MOs

Info

ID:	382588
PubChem CID:	134973846
Reduced:	OH11C12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	233.99055
ΔH_f, kcal/mol:	30.8
Dipole, Da:	3.97
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-2-iodo-1-methylbicyclo[3.2.0]hept-2-ene

Drug info:

PubChemData

Smile

CC(=CCOC1=C(C2=CC=CC=C2C=C1)C(C#CC3=CC=CC=C3)O)C

DOS

IR

Vibrations