Geometry & MOs

Info

ID:

411824

PubChem CID:

135084669

Reduced:

N2O2C45H74 (1)

Stoich.:

A2B2C45D74 (1)

Weight, g/mol:

483.225938

ΔHf, kcal/mol:

-156.25

Dipole, Da:

4.91

IP(EA), eV:

 -7.98(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

Drug info:

PubChemData

Smile

CCC(C)(CC)C1=CC(=C(C(=C1)C(C)(CC)CC)O)CN(C)C2CCCC[C@H]2N/C=C\3/C=C(C=C(C3=O)C(C)(CC)CC)C(C)(CC)CC

DOS

IR

Vibrations