Geometry & MOs

Info

ID:	288227
PubChem CID:	104313804
Reduced:	BrFON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	-20.79
Dipole, Da:	3.02
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(4-methoxy-3,5-dimethylpyridin-2-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations