Geometry & MOs

Info

ID:	15802
PubChem CID:	451660
Reduced:	BrNO3C26H54 (1)
Stoich.:	ABC3D26E54 (1)
Weight, g/mol:	507.32871
ΔH_f, kcal/mol:	-168.9
Dipole, Da:	41.63
IP(EA), eV:	-5.2(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-heptadecyl-1,3-dioxolan-4-yl)methyl-(3-hydroxypropyl)-dimethylazanium;bromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC1OCC(O1)C[N+](C)(C)CCCO.[Br-]

DOS

IR

Vibrations