Geometry & MOs

Info

ID:	394146
PubChem CID:	135022417
Reduced:	N5C20H21 (1)
Stoich.:	A5B20C21 (1)
Weight, g/mol:	397.82763
ΔH_f, kcal/mol:	115.94
Dipole, Da:	5.27
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trifluoro-4,6-diiodo-5-methylbenzene

Drug info:

PubChemData

Smile

CCCCC1=CN(N=N1)C2=CC=CC=C2C3=CN4C=C(C=CC4=N3)C

DOS

IR

Vibrations