Geometry & MOs

Info

ID:	202263
PubChem CID:	79647416
Reduced:	N3O3C15H31 (1)
Stoich.:	A3B3C15D31 (1)
Weight, g/mol:	329.111936
ΔH_f, kcal/mol:	-146.61
Dipole, Da:	4.18
IP(EA), eV:	-8.87(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(ethylamino)-3-(4-methylsulfonylphenyl)sulfanylcyclopentyl]methanol

Drug info:

PubChemData

Smile

CCNC1(CCC(C1)N(CCOC)C(C)COC)C(=O)N

DOS

IR

Vibrations