Geometry & MOs

Info

ID:	223517
PubChem CID:	85335159
Reduced:	ON5C24H33 (1)
Stoich.:	AB5C24D33 (1)
Weight, g/mol:	404.147118
ΔH_f, kcal/mol:	-9.06
Dipole, Da:	4.5
IP(EA), eV:	-7.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-2,3,5-triol

Drug info:

PubChemData

Smile

CC(C)CC1CC(NN1)C(=O)NC2=CC3=C(C=C2)N=C(C=C3)N4CC5CCC4CC5

DOS

IR

Vibrations