Geometry & MOs

Info

ID:	424552
PubChem CID:	135123098
Reduced:	BrOSN4F5H6C15 (1)
Stoich.:	ABCD4E5F6G15 (1)
Weight, g/mol:	281.025499
ΔH_f, kcal/mol:	-170.23
Dipole, Da:	5.76
IP(EA), eV:	-10.15(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-5-(2-fluorophenoxy)-4-methyl-2-nitrobenzene

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1F)C2=NSC(=N2)C3=C(C(=NC=C3)C(F)(F)F)C(=O)N)F)Br

DOS

IR

Vibrations