Geometry & MOs

Info

ID:

127618

PubChem CID:

51008542

Reduced:

NO6C26H31 (1)

Stoich.:

AB6C26D31 (1)

Weight, g/mol:

516.346427

ΔHf, kcal/mol:

-186.59

Dipole, Da:

4.96

IP(EA), eV:

 -9.97(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

1-[(1S,5R)-8-benzyl-8-methyl-3-aza-8-azoniabicyclo[3.2.1]octan-3-yl]-4-[(1R,5R)-8-benzyl-8-methyl-3-aza-8-azoniabicyclo[3.2.1]octan-3-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](C2(C1)OC(=O)C3([C@@H]4C[C@H](N3OC(=O)C5=CC=C(C=C5)C)C=C4)C(=O)O2)C(C)C

DOS

IR

Vibrations