Geometry & MOs

Info

ID:	288330
PubChem CID:	104315061
Reduced:	Br2N2F3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	401.95655
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	4.1
IP(EA), eV:	-9.45(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(4-fluorophenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CCC(F)(F)F)C1=C(C=C(C=N1)Br)Br

DOS

IR

Vibrations