Geometry & MOs

Info

ID:	259148
PubChem CID:	103158367
Reduced:	NOSC13H25 (1)
Stoich.:	ABCD13E25 (1)
Weight, g/mol:	227.224915
ΔH_f, kcal/mol:	-84.72
Dipole, Da:	2.98
IP(EA), eV:	-8.39(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(2-ethylbutylamino)propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2CCCSC2)O

DOS

IR

Vibrations