Geometry & MOs

Info

ID:	48325
PubChem CID:	10538919
Reduced:	ClN4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	253.96665
ΔH_f, kcal/mol:	5.9
Dipole, Da:	3.69
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(trifluoromethyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C2=C(C(=NC(=N2)C)Cl)N)C

DOS

IR

Vibrations