Geometry & MOs

Info

ID:	229466
PubChem CID:	87567739
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.100168
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	13.07
IP(EA), eV:	-8.76(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane-1,2-diol;2-hydroxy-3-propoxybutanedioic acid

Drug info:

PubChemData

Smile

C[N+]1(C2=C(C=C(C=C2)OC)C=C1CC(=O)[O-])C

DOS

IR

Vibrations