Geometry & MOs

Info

ID:	259084
PubChem CID:	103158172
Reduced:	NO6C12H25 (1)
Stoich.:	AB6C12D25 (1)
Weight, g/mol:	253.165349
ΔH_f, kcal/mol:	-272.33
Dipole, Da:	2.87
IP(EA), eV:	-9.45(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol

Drug info:

PubChemData

Smile

COCCOCCOCCOC(=O)CC(CN)OC

DOS

IR

Vibrations