Geometry & MOs

Info

ID:	231747
PubChem CID:	87574562
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	227.128821
ΔH_f, kcal/mol:	-27.8
Dipole, Da:	4.13
IP(EA), eV:	-8.37(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl(3,3,3-trimethoxypropyl)azanium;chloride

Drug info:

PubChemData

Smile

CC(=O)SOC1=CC=C(C=C1)C2=CC=CC=C2N

DOS

IR

Vibrations