Geometry & MOs

Info

ID:

427842

PubChem CID:

135164183

Reduced:

FO8C37H39 (1)

Stoich.:

AB8C37D39 (1)

Weight, g/mol:

594.366887

ΔHf, kcal/mol:

-263.63

Dipole, Da:

2.51

IP(EA), eV:

 -9.03(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-[2-[2-[(dimethylamino)methyl]prop-2-enoyloxy]ethoxy]phenyl]-4-heptylphenoxy]ethyl 2-[(dimethylamino)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(=C)CO)OCCOC(=O)C(=C)CO)F

DOS

IR

Vibrations