Geometry & MOs

Info

ID:	127451
PubChem CID:	51002561
Reduced:	ClNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-130.95
Dipole, Da:	4.25
IP(EA), eV:	-8.92(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[2-(1H-indol-3-yl)ethoxy]phenyl]morpholin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

C1COC(CN1CCC(=O)O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations