Geometry & MOs

Info

ID:	408220
PubChem CID:	135080981
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	162.089209
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	5.27
IP(EA), eV:	-9.07(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-4,5,7-trihydroxyheptan-3-one

Drug info:

PubChemData

Smile

C[C@@](CC1=CC=C(C=C1)OC)(C#N)O

DOS

IR

Vibrations