Geometry & MOs

Info

ID:	294127
PubChem CID:	117427378
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-109.73
Dipole, Da:	3.48
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1C(=O)CCN)Cl)OCCO2

DOS

IR

Vibrations