Geometry & MOs

Info

ID:	132892
PubChem CID:	51440947
Reduced:	NCl2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	289.027249
ΔH_f, kcal/mol:	-105.46
Dipole, Da:	9.2
IP(EA), eV:	-9.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,4-dichlorophenyl)-2-morpholin-4-ylacetic acid

Drug info:

PubChemData

Smile

C1COCC[NH+]1[C@H](C2=CC(=C(C=C2)Cl)Cl)C(=O)[O-]

DOS

IR

Vibrations