Geometry & MOs

Info

ID:	56973
PubChem CID:	22395161
Reduced:	Br3N4H16 (1)
Stoich.:	A3B4C16 (1)
Weight, g/mol:	568.579446
ΔH_f, kcal/mol:	-140.91
Dipole, Da:	6.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762349
Charge, e:	0

Chem-info

IUPAC name:

2-(octadecoxymethyl)oxirane;1-octoxyoctane

Drug info:

PubChemData

Smile

[NH4+].[NH4+].[NH4+].[NH4+].[Br-].[Br-].[Br-]

DOS

IR

Vibrations