Geometry & MOs

Info

ID:	79971
PubChem CID:	49831916
Reduced:	NO4C28H29 (1)
Stoich.:	AB4C28D29 (1)
Weight, g/mol:	278.05315
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	4.04
IP(EA), eV:	-8.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-iodo-2-(3-methylbut-2-enyl)cyclohexane

Drug info:

PubChemData

Smile

CC/C(=N\C1=C(C(C2=C(O1)C=CC3=CC=CC=C32)C4=CC=C(C=C4)C)C(=O)OCC)/OCC

DOS

IR

Vibrations