Geometry & MOs

Info

ID:	442652
PubChem CID:	135253642
Reduced:	O6C25H48 (1)
Stoich.:	A6B25C48 (1)
Weight, g/mol:	524.277404
ΔH_f, kcal/mol:	-348.87
Dipole, Da:	3.2
IP(EA), eV:	-10.13(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-butylphenyl)-2-(3-hydroxypropyl)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(C)C1OCC2C(O1)C(C(C(O2)OC)O)O

DOS

IR

Vibrations