Geometry & MOs

Info

ID:	233530
PubChem CID:	91145297
Reduced:	BrFO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	-131.29
Dipole, Da:	2.47
IP(EA), eV:	-9.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[1-[[4-(nitrosomethyl)-4H-pyridin-1-ium-1-ylidene]methyl]pyridin-4-ylidene]methyl-oxoazanium

Drug info:

PubChemData

Smile

CCOC(=O)C(CCBr)C1=CC(=CC=C1)F

DOS

IR

Vibrations