Geometry & MOs

Info

ID:	159401
PubChem CID:	57269833
Reduced:	FC3H3 (2)
Stoich.:	AB3C3 (2)
Weight, g/mol:	806.471746
ΔH_f, kcal/mol:	-79.82
Dipole, Da:	1.11
IP(EA), eV:	-9.65(0.67)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

bis[8-[(4-acetyloxy-3-methoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] decanedioate

Drug info:

PubChemData

Smile

C1C=C(CC(=C1)F)F

DOS

IR

Vibrations