Geometry & MOs

Info

ID:	229917
PubChem CID:	87569505
Reduced:	NO7C29H33 (1)
Stoich.:	AB7C29D33 (1)
Weight, g/mol:	507.225702
ΔH_f, kcal/mol:	-175.95
Dipole, Da:	2.26
IP(EA), eV:	-8.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-[2-[2-hydroxy-3-[(2-methoxy-2-phenoxyethyl)amino]propoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations