Geometry & MOs

Info

ID:	191653
PubChem CID:	78172961
Reduced:	O7C15H18 (1)
Stoich.:	A7B15C18 (1)
Weight, g/mol:	330.06993
ΔH_f, kcal/mol:	-276.85
Dipole, Da:	4.56
IP(EA), eV:	-10.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-amino-4-nitrophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC2(C=CC3C2C(OCC3C(=O)O)O)OC1(C)O

DOS

IR

Vibrations