Geometry & MOs

Info

ID:	54476
PubChem CID:	17388739
Reduced:	CKNSH2O3 (3)
Stoich.:	ABCDE2F3 (3)
Weight, g/mol:	351.182588
ΔH_f, kcal/mol:	-543.68
Dipole, Da:	8.67
IP(EA), eV:	-8.66(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)-N-(2,4,6-trimethylphenyl)acetamide;chloride

Drug info:

PubChemData

Smile

C1N(CN(CN1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

DOS

IR

Vibrations