Geometry & MOs

Info

ID:	260469
PubChem CID:	103192605
Reduced:	FN2C4H7 (3)
Stoich.:	AB2C4D7 (3)
Weight, g/mol:	363.98344
ΔH_f, kcal/mol:	-113.82
Dipole, Da:	7.0
IP(EA), eV:	-8.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[4-bromo-2-(trifluoromethoxy)phenyl]-3-fluorobenzene-1,2-diamine

Drug info:

PubChemData

Smile

CCN(C1=NC(=NC(=C1)C(F)(F)F)NN)C(C)CN(C)C

DOS

IR

Vibrations