Geometry & MOs

Info

ID:	147354
PubChem CID:	53787010
Reduced:	N2F3O8H25C27 (1)
Stoich.:	A2B3C8D25E27 (1)
Weight, g/mol:	500.21638
ΔH_f, kcal/mol:	-314.77
Dipole, Da:	5.06
IP(EA), eV:	-9.1(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[1,1-dibromo-2-[dimethyl(octyl)azaniumyl]ethyl]-dimethyl-octylazanium

Drug info:

PubChemData

Smile

CC1=C(C(C(C(=N1)C(F)(F)F)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3OCC4CO4

DOS

IR

Vibrations