Geometry & MOs

Info

ID:	339280
PubChem CID:	127260659
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-115.49
Dipole, Da:	2.42
IP(EA), eV:	-9.7(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-hydroxy-3,3,5-trimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)[C@@H](C(C1)(C)C)O

DOS

IR

Vibrations