Geometry & MOs

Info

ID:	262389
PubChem CID:	103290097
Reduced:	NO3F4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	317.121628
ΔH_f, kcal/mol:	-284.26
Dipole, Da:	4.19
IP(EA), eV:	-9.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methylsulfonyl]-N-propylpentan-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(CCOC1=C(C(=CC(=C1F)F)F)F)NC

DOS

IR

Vibrations