Geometry & MOs

Info

ID:	262387
PubChem CID:	103290040
Reduced:	NO3F4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	329.121628
ΔH_f, kcal/mol:	-285.2
Dipole, Da:	3.11
IP(EA), eV:	-9.49(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfonyl]-4-propylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(COC1=C(C(=CC(=C1F)F)F)F)NC

DOS

IR

Vibrations