Geometry & MOs

Info

ID:	63167
PubChem CID:	26746568
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-140.6
Dipole, Da:	4.31
IP(EA), eV:	-9.05(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H](C)C(=O)NC1=C(C(=CC=C1)Cl)C

DOS

IR

Vibrations