Geometry & MOs

Info

ID:	269158
PubChem CID:	103616142
Reduced:	BrNF4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-206.15
Dipole, Da:	2.88
IP(EA), eV:	-9.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(azepan-1-yl)ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1C(F)(F)F)NCC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations