Geometry & MOs

Info

ID:	132375
PubChem CID:	51351149
Reduced:	ClSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	310.250795
ΔH_f, kcal/mol:	-186.13
Dipole, Da:	6.1
IP(EA), eV:	-9.53(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylcyclohexyl)oxy-3-cyclohexyloxypropan-2-one

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCS(=O)(=O)Cl

DOS

IR

Vibrations