Geometry & MOs

Info

ID:	72501
PubChem CID:	48416243
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-148.08
Dipole, Da:	5.31
IP(EA), eV:	-8.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(acetamidomethyl)-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC3=CC=CC=C3O2)C(=O)OC

DOS

IR

Vibrations