Geometry & MOs

Info

ID:	56800
PubChem CID:	22390421
Reduced:	OCl2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	292.159393
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	3.25
IP(EA), eV:	-9.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations