Geometry & MOs

Info

ID:	197177
PubChem CID:	78933026
Reduced:	ClNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	243.066221
ΔH_f, kcal/mol:	-26.59
Dipole, Da:	4.26
IP(EA), eV:	-8.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)Cl)OCC(=C)C)N

DOS

IR

Vibrations