Geometry & MOs

Info

ID:	199261
PubChem CID:	79224080
Reduced:	SO3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	277.186421
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	5.1
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(2-phenylsulfanylethyl)-N-propylcyclopentan-1-amine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)COC3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations