Geometry & MOs

Info

ID:	285461
PubChem CID:	104106510
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	229.128963
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	2.46
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,2,2-trifluoroethoxy)ethylamino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(CC(C)O)NCC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations