Geometry & MOs

Info

ID:	147918
PubChem CID:	53787578
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	498.152597
ΔH_f, kcal/mol:	-17.35
Dipole, Da:	2.25
IP(EA), eV:	-9.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-2-[4-[2-[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxyethoxy]-2-methoxyphenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC(C#C)C1=NC(=CC=C1)OC2=CC=CC=C2)N

DOS

IR

Vibrations