Geometry & MOs

Info

ID:	268678
PubChem CID:	103600424
Reduced:	BrClNO4H7C13 (1)
Stoich.:	ABCD4E7F13 (1)
Weight, g/mol:	284.037289
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	4.99
IP(EA), eV:	-10.17(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,4,5,6-pentafluoroanilino)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC2=C(C=C(C=C2)Br)C=O

DOS

IR

Vibrations