Geometry & MOs

Info

ID:	318189
PubChem CID:	126649461
Reduced:	ON8C20H22 (1)
Stoich.:	AB8C20D22 (1)
Weight, g/mol:	238.068867
ΔH_f, kcal/mol:	116.44
Dipole, Da:	6.24
IP(EA), eV:	-8.65(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-oxo-4-(2,3,4-trihydroxybutoxy)butanoic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations