Geometry & MOs

Info

ID:

411868

PubChem CID:

135084713

Reduced:

BrON2C38H41 (1)

Stoich.:

ABC2D38E41 (1)

Weight, g/mol:

772.471627

ΔHf, kcal/mol:

75.97

Dipole, Da:

9.2

IP(EA), eV:

 -7.99(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

4-[(R)-[5-ethenyl-1-[[2-[[5-ethenyl-2-[(R)-prop-2-enoxy(quinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline

Drug info:

PubChemData

Smile

C.C=CCO[C@@H](C1CC2CC[N+]1(CC2C=C)CC3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=NC7=CC=CC=C67.[Br-]

DOS

IR

Vibrations