Geometry & MOs

Info

ID:	229996
PubChem CID:	87569842
Reduced:	NO7C29H33 (1)
Stoich.:	AB7C29D33 (1)
Weight, g/mol:	507.225702
ΔH_f, kcal/mol:	-179.78
Dipole, Da:	4.56
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-[4-[2-hydroxy-3-[1-(2-methoxyphenoxy)ethylamino]propoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC(COC1=CC=C(C=C1)/C=C(\C2=CC=C(C=C2)OC)/C(=O)OC)O)OC3=CC=CC=C3OC

DOS

IR

Vibrations