Geometry & MOs

Info

ID:	36707
PubChem CID:	8011602
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-173.22
Dipole, Da:	5.82
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H]1CCCC2=CC=CC=C12)OC(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations