Geometry & MOs

Info

ID:	269017
PubChem CID:	103605252
Reduced:	ClON2F4H5C12 (1)
Stoich.:	ABC2D4E5F12 (1)
Weight, g/mol:	328.05751
ΔH_f, kcal/mol:	-160.1
Dipole, Da:	2.77
IP(EA), eV:	-10.01(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-bromophenyl)propylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CN=C(C=C1C(=O)NC2=C(C(=CC(=C2F)F)F)F)Cl

DOS

IR

Vibrations