Geometry & MOs

Info

ID:	127448
PubChem CID:	51002558
Reduced:	NO5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-126.7
Dipole, Da:	4.94
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(4-phenoxybutoxy)phenyl]morpholin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

C1COC(CN1CCC(=O)O)C2=CC=C(C=C2)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations