Geometry & MOs

Info

ID:	21272
PubChem CID:	587822
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-86.59
Dipole, Da:	2.33
IP(EA), eV:	-9.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-3-(2-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1=CC=CC=C1Cl)N

DOS

IR

Vibrations