Geometry & MOs

Info

ID:	288245
PubChem CID:	104314194
Reduced:	BrFN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	298.10446
ΔH_f, kcal/mol:	3.92
Dipole, Da:	3.46
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-4-methyl-N-propylpentan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CC=CC=C1F)C2=C(C=CC=N2)Br

DOS

IR

Vibrations