Geometry & MOs

Info

ID:	318056
PubChem CID:	126648737
Reduced:	BrON5H10C12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	424.195092
ΔH_f, kcal/mol:	117.72
Dipole, Da:	6.78
IP(EA), eV:	-9.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[3-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]naphthalen-1-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CON2C3=C(C=CC(=N3)N)N=N2

DOS

IR

Vibrations