Geometry & MOs

Info

ID:	188304
PubChem CID:	77696114
Reduced:	O2N4H24C27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	61.84
Dipole, Da:	6.94
IP(EA), eV:	-8.38(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1CC2=C3C=C(C=CC3=NC2=C4C1CNN4)C(=O)NC5=CC(=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations