Geometry & MOs

Info

ID:	424130
PubChem CID:	135121437
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	248.066068
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	2.92
IP(EA), eV:	-9.23(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(4R)-5-(3,4-dihydroxyphenyl)-4-hydroxypentanoate

Drug info:

PubChemData

Smile

CNC1=CC(=O)C2=CC(=NC=C2C1=O)C3CC3

DOS

IR

Vibrations