Geometry & MOs

Info

ID:	439050
PubChem CID:	135228813
Reduced:	N3O3C34H53 (1)
Stoich.:	A3B3C34D53 (1)
Weight, g/mol:	376.00909
ΔH_f, kcal/mol:	-134.14
Dipole, Da:	10.04
IP(EA), eV:	-8.58(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one

Drug info:

PubChemData

Smile

CCCCCCNCCN=C/C(=C\N)/C1=CC(=C(C=C1CC)/C(=C/C(=O)/C(=C\C)/C(=O)O)/C)CC(C)C(C)(C)C

DOS

IR

Vibrations