Geometry & MOs

Info

ID:	263508
PubChem CID:	103374263
Reduced:	BrFON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	261.12774
ΔH_f, kcal/mol:	-14.66
Dipole, Da:	3.47
IP(EA), eV:	-9.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methylphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=CC(=C1)Br)F)C2=NN=C(C=C2)OC

DOS

IR

Vibrations