Geometry & MOs

Info

ID:	427844
PubChem CID:	135164278
Reduced:	O6C31H46 (1)
Stoich.:	A6B31C46 (1)
Weight, g/mol:	512.241018
ΔH_f, kcal/mol:	-278.06
Dipole, Da:	3.09
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-2-(4-pentylphenyl)phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2CC(CC(C2)CCCOC(=O)C(=C)CO)CCCOC(=O)C(=C)CO

DOS

IR

Vibrations