Geometry & MOs

Info

ID:	299837
PubChem CID:	117695900
Reduced:	O3N4H14C18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	240.084517
ΔH_f, kcal/mol:	-11.65
Dipole, Da:	3.18
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1,3,4-trihydroxybutan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)NC2=CC(=NC=N2)NC3=CC(=C4C(=C3)C=CO4)O

DOS

IR

Vibrations