Geometry & MOs

Info

ID:	392530
PubChem CID:	135017058
Reduced:	SN2O6C17H30 (1)
Stoich.:	AB2C6D17E30 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-312.2
Dipole, Da:	6.41
IP(EA), eV:	-9.74(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[ethyl(methyl)amino]pyridin-1-ium-1-yl]propan-2-yl carbonate

Drug info:

PubChemData

Smile

CC(=O)OCC1CC2(CCCCC2)CN1S(=O)(=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations