Geometry & MOs

Info

ID:	265278
PubChem CID:	103516451
Reduced:	BrNF3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	175.117256
ΔH_f, kcal/mol:	-132.4
Dipole, Da:	1.56
IP(EA), eV:	-9.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoro-N-propylhex-4-yn-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(C(F)F)N)Br)F

DOS

IR

Vibrations