Geometry & MOs

Info

ID:	287398
PubChem CID:	104240371
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	327.09979
ΔH_f, kcal/mol:	-120.81
Dipole, Da:	4.45
IP(EA), eV:	-9.0(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine

Drug info:

PubChemData

Smile

CNC(CCCCS(=O)(=O)C)C1CCCC1

DOS

IR

Vibrations