Geometry & MOs

Info

ID:

227329

PubChem CID:

87561316

Reduced:

O4F6N6C49H58 (1)

Stoich.:

A4B6C6D49E58 (1)

Weight, g/mol:

458.375995

ΔHf, kcal/mol:

-386.02

Dipole, Da:

3.08

IP(EA), eV:

 -8.82(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-ethyl-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoxy]butanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2C3(CCN(CC3)C)CC(=O)N2CC4=CC=C(C=C4)OC(F)(F)F.CCN1CCC2(CC1)CC(=O)N(N2CC3=CC=C(C=C3)F)CC4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations