Geometry & MOs

Info

ID:	127429
PubChem CID:	51002164
Reduced:	NO7C24H31 (1)
Stoich.:	AB7C24D31 (1)
Weight, g/mol:	411.240959
ΔH_f, kcal/mol:	-238.86
Dipole, Da:	3.2
IP(EA), eV:	-8.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4-butylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=C(C(=C(C=C2)OC)OC)OC)C3CN(CCO3)CCC(=O)O

DOS

IR

Vibrations