Geometry & MOs

Info

ID:	322649
PubChem CID:	126670724
Reduced:	O2C7H14 (1)
Stoich.:	A2B7C14 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-112.25
Dipole, Da:	3.7
IP(EA), eV:	-10.13(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-hydroxy-4,4-dimethylheptan-2-one

Drug info:

PubChemData

Smile

CCCC[C@H](C(=O)C)O

DOS

IR

Vibrations