Geometry & MOs

Info

ID:	189265
PubChem CID:	77836107
Reduced:	BrNO5C30H54 (1)
Stoich.:	ABC5D30E54 (1)
Weight, g/mol:	508.400199
ΔH_f, kcal/mol:	-203.15
Dipole, Da:	59.7
IP(EA), eV:	-5.14(-4.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-methoxy-2-octadecoxypropyl) 2-pyridin-1-ium-1-ylethyl carbonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(COC)COC(=O)OCC[N+]1=CC=CC=C1.[Br-]

DOS

IR

Vibrations