Geometry & MOs

Info

ID:	31056
PubChem CID:	854326
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	339.110673
ΔH_f, kcal/mol:	-130.07
Dipole, Da:	10.92
IP(EA), eV:	-9.1(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-hydroxy-7-oxo-4-phenylchromen-8-yl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NCC1=C2C(=C(C=C(O2)O)C3=CC=CC=C3)C=CC1=O

DOS

IR

Vibrations