Geometry & MOs

Info

ID:	225276
PubChem CID:	85753029
Reduced:	NC10H13 (1)
Stoich.:	AB10C13 (1)
Weight, g/mol:	249.98546
ΔH_f, kcal/mol:	63.14
Dipole, Da:	2.88
IP(EA), eV:	-7.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C=CC=CC=CC=CC=CN

DOS

IR

Vibrations