Geometry & MOs

Info

ID:	389179
PubChem CID:	134991398
Reduced:	ClN2O4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	321.065792
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	2.88
IP(EA), eV:	-8.58(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-fluoro-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-2-one;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=CCC2C(C3CC4(CCN3CC4C=C)OC(=O)C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations