Geometry & MOs

Info

ID:	185485
PubChem CID:	77303040
Reduced:	N2F3O6C34H43 (1)
Stoich.:	A2B3C6D34E43 (1)
Weight, g/mol:	519.322283
ΔH_f, kcal/mol:	-404.27
Dipole, Da:	12.49
IP(EA), eV:	-9.32(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[3-(cycloheptanecarbonylamino)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NCCC[N+]23CCC(CC2)C(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations