Geometry & MOs

Info

ID:	189264
PubChem CID:	77836106
Reduced:	BrO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	587.31854
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	1.52
IP(EA), eV:	-8.41(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)Br)OC(=O)N

DOS

IR

Vibrations