Geometry & MOs

Info

ID:	72386
PubChem CID:	48416115
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-154.44
Dipole, Da:	2.14
IP(EA), eV:	-8.58(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CC2=CC=C(C=C2)C)C(=O)OC

DOS

IR

Vibrations