Geometry & MOs

Info

ID:	127428
PubChem CID:	51002073
Reduced:	ClN2O6H19C27 (1)
Stoich.:	AB2C6D19E27 (1)
Weight, g/mol:	445.210052
ΔH_f, kcal/mol:	-130.87
Dipole, Da:	8.83
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-methyl-4-[(2,3,4-trimethoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)C2=CC=C(C=C2)N3C(=CC4=C3C(=O)C(=C(N4)O)C5=CC(=CC=C5)C(=O)O)Cl

DOS

IR

Vibrations