Geometry & MOs

Info

ID:	389969
PubChem CID:	134996306
Reduced:	IOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	261.003328
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	3.28
IP(EA), eV:	-9.59(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methoxy-1,3,5-trinitrobenzene

Drug info:

PubChemData

Smile

CCCCCC(=C(C=O)I)CCCCC

DOS

IR

Vibrations