Geometry & MOs

Info

ID:	290249
PubChem CID:	104422411
Reduced:	BrFN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	292.156261
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	2.53
IP(EA), eV:	-9.0(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-propylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCNCCCNCC1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations