Geometry & MOs

Info

ID:	144785
PubChem CID:	53412937
Reduced:	BrON2F3H3C5 (1)
Stoich.:	ABC2D3E3F5 (1)
Weight, g/mol:	245.993838
ΔH_f, kcal/mol:	-153.89
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.926030
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-1-(trifluoromethyl)hydrazine;hydrochloride

Drug info:

PubChemData

Smile

C1=C(NC=[N+]1C(=O)C(F)(F)F)Br

DOS

IR

Vibrations