Geometry & MOs

Info

ID:

412033

PubChem CID:

135084896

Reduced:

ZnBr2N2O2H48C54 (1)

Stoich.:

AB2C2D2E48F54 (1)

Weight, g/mol:

532.13371

ΔHf, kcal/mol:

126.63

Dipole, Da:

2.91

IP(EA), eV:

 -8.71(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;bromide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C=N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)N=CC4=C(C=C(C=C4C)C)C)C.C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)Br)O)O)Br.[Zn]

DOS

IR

Vibrations