Geometry & MOs

Info

ID:

336993

PubChem CID:

127256558

Reduced:

BrNO2C14H19 (2)

Stoich.:

ABC2D14E19 (2)

Weight, g/mol:

466.283158

ΔHf, kcal/mol:

-120.95

Dipole, Da:

60.86

IP(EA), eV:

 -6.81(-2.71)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2-(4-hydroxy-1-methylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(4-hydroxy-1-methylpiperidin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

C[N+]1(CCC(CC1)O)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4(CCC(CC4)O)C.[Br-].[Br-]

DOS

IR

Vibrations