Geometry & MOs

Info

ID:	410803
PubChem CID:	135083604
Reduced:	OC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	2.59
IP(EA), eV:	-9.85(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-cyclohexyl-3-hydroxy-4-methylpentan-1-one

Drug info:

PubChemData

Smile

CC12CC[C@H](C[C@@H]1O2)C(C)(C)C

DOS

IR

Vibrations