Geometry & MOs

Info

ID:	407952
PubChem CID:	135080707
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	176.104859
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	2.7
IP(EA), eV:	-9.56(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1,3,4-trihydroxy-6-methylheptan-2-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C(=O)N1CC2=CC=CC=C2)CO

DOS

IR

Vibrations