Geometry & MOs

Info

ID:	229728
PubChem CID:	87568676
Reduced:	NO5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	477.215138
ΔH_f, kcal/mol:	-242.19
Dipole, Da:	4.75
IP(EA), eV:	-8.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC/C(=C/C1=C(C(=C(C=C1)OC)C)CCNC(=O)OC(C)(C)C)/C(=O)O

DOS

IR

Vibrations