Geometry & MOs

Info

ID:	382602
PubChem CID:	134973862
Reduced:	N4O4H28C31 (1)
Stoich.:	A4B4C28D31 (1)
Weight, g/mol:	300.136159
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	3.39
IP(EA), eV:	-8.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-4-[2-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN([C@@H]([C@H]2COC3=CC=CC=C3C(=O)N)COC4=CC=CC=C4C(=O)N)C5=CC=CC=C5

DOS

IR

Vibrations