Geometry & MOs

Info

ID:	72541
PubChem CID:	48416285
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-224.94
Dipole, Da:	3.64
IP(EA), eV:	-8.77(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COC2CCCCC2)C(=O)OC

DOS

IR

Vibrations