Geometry & MOs

Info

ID:	2103
PubChem CID:	5824
Reduced:	SN2O6C13H22 (1)
Stoich.:	AB2C6D13E22 (1)
Weight, g/mol:	334.119858
ΔH_f, kcal/mol:	-204.83
Dipole, Da:	15.94
IP(EA), eV:	-9.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-]

DOS

IR

Vibrations