Geometry & MOs

Info

ID:	225440
PubChem CID:	85786880
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	228.031824
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	2.59
IP(EA), eV:	-8.41(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-carboxyethyl(methyl)phosphanyl]propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCOC1=NOC(=C1C2=CC=C(C=C2)OC)C

DOS

IR

Vibrations