Geometry & MOs

Info

ID:	288212
PubChem CID:	104313555
Reduced:	BrN2F3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	308.03244
ΔH_f, kcal/mol:	-97.68
Dipole, Da:	3.22
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC(C1=CC=CC=C1C(F)(F)F)C2=C(C=CC=N2)Br

DOS

IR

Vibrations