Geometry & MOs

Info

ID:	340451
PubChem CID:	127262462
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	245.053552
ΔH_f, kcal/mol:	-38.11
Dipole, Da:	4.28
IP(EA), eV:	-8.29(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-2-oxoethyl) 3,4,5-trihydroxybenzoate;hydrate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N/NC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations