Geometry & MOs

Info

ID:	389667
PubChem CID:	134994372
Reduced:	NOSC13H25 (1)
Stoich.:	ABCD13E25 (1)
Weight, g/mol:	259.136672
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	3.08
IP(EA), eV:	-8.29(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-[(Z)-3-oxo-3-propan-2-yloxyprop-1-enyl]azanium;tetrafluoroborate

Drug info:

PubChemData

Smile

CCCCC[C@@H]1[C@H](N1[S@](=O)C(C)(C)C)C=C

DOS

IR

Vibrations