Geometry & MOs

Info

ID:	5957
PubChem CID:	14185
Reduced:	FINOC20H29 (1)
Stoich.:	ABCDE20F29 (1)
Weight, g/mol:	445.12779
ΔH_f, kcal/mol:	-93.97
Dipole, Da:	12.28
IP(EA), eV:	-7.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)butan-1-one;iodide

Drug info:

PubChemData

Smile

C[N+]1(CCC2(CCCC2)CC1)CCCC(=O)C3=CC=C(C=C3)F.[I-]

DOS

IR

Vibrations