Geometry & MOs

Info

ID:	402526
PubChem CID:	135056291
Reduced:	ON2H3Cl7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	249.092042
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	2.9
IP(EA), eV:	-9.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-cyclohexyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)N=C(Cl)Cl)Cl)NC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations