Geometry & MOs

Info

ID:	311580
PubChem CID:	126594049
Reduced:	ON4C27H28 (1)
Stoich.:	AB4C27D28 (1)
Weight, g/mol:	251.96473
ΔH_f, kcal/mol:	50.34
Dipole, Da:	1.39
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodocyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=NC=CC(=C2C(=C1C3=CC=C(C=C3)CN4CCOCC4)C)C5=CN=CN=C5C

DOS

IR

Vibrations