Geometry & MOs

Info

ID:	283464
PubChem CID:	103983968
Reduced:	BrClN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	242.098604
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	6.22
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloropyridin-4-yl)methyl]-4-fluoroazepane

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCCN1C(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations