Geometry & MOs

Info

ID:	285516
PubChem CID:	104109960
Reduced:	ClNC13H28 (1)
Stoich.:	ABC13D28 (1)
Weight, g/mol:	307.01387
ΔH_f, kcal/mol:	-71.25
Dipole, Da:	3.4
IP(EA), eV:	-8.96(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4-fluorophenyl)methyl]-4-chloropentan-2-amine

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(C)CC(C)Cl

DOS

IR

Vibrations