Geometry & MOs

Info

ID:	259131
PubChem CID:	103158310
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	231.165686
ΔH_f, kcal/mol:	-129.79
Dipole, Da:	2.54
IP(EA), eV:	-9.08(2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(1-methylsulfanylpropan-2-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(COC)NCC(CC1CCCC1)O

DOS

IR

Vibrations