Geometry & MOs

Info

ID:	390517
PubChem CID:	134999525
Reduced:	BrNF3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	397.171165
ΔH_f, kcal/mol:	-123.23
Dipole, Da:	4.04
IP(EA), eV:	-8.69(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCN(C1)C(=CC2=CC=CC=C2Br)C(F)(F)F

DOS

IR

Vibrations