Geometry & MOs

Info

ID:	29826
PubChem CID:	837604
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-109.54
Dipole, Da:	1.94
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O[C@H](C)C(=O)NC2=CC(=C(C=C2)C)O)C

DOS

IR

Vibrations