Geometry & MOs

Info

ID:	282697
PubChem CID:	103936638
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	324.02735
ΔH_f, kcal/mol:	-34.79
Dipole, Da:	3.43
IP(EA), eV:	-9.35(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[1-(5-fluoropyridin-3-yl)ethyl]-5-methoxyaniline

Drug info:

PubChemData

Smile

CC(C)N[C@H](C1=CC=CC=C1)C(=O)NC

DOS

IR

Vibrations