Geometry & MOs

Info

ID:	56801
PubChem CID:	22390425
Reduced:	ClOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	326.120421
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	4.98
IP(EA), eV:	-9.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,5-dichloro-4-(3,3,5,5-tetramethylcyclohexyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)C2CC(CC(C2)(C)C)(C)C)Cl

DOS

IR

Vibrations