Geometry & MOs

Info

ID:

412021

PubChem CID:

135084884

Reduced:

AlClBr2N2O2H36C42 (1)

Stoich.:

ABC2D2E2F36G42 (1)

Weight, g/mol:

322.204513

ΔHf, kcal/mol:

-79.14

Dipole, Da:

6.18

IP(EA), eV:

 -8.67(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(R)-(5-ethenyl-2-bicyclo[2.2.2]octanyl)-(6-methoxyquinolin-4-yl)methanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC2=C1O[Al](OC3=C(C=C(C=C3C(C)(C)C)Br)C=NC4=C(C5=CC=CC=C5C=C4)C6=C(C=CC7=CC=CC=C76)N=C2)Cl)Br

DOS

IR

Vibrations