Geometry & MOs

Info

ID:	257625
PubChem CID:	103147466
Reduced:	N2O2F3C13H21 (1)
Stoich.:	A2B2C3D13E21 (1)
Weight, g/mol:	289.128963
ΔH_f, kcal/mol:	-244.22
Dipole, Da:	6.16
IP(EA), eV:	-8.94(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6,7,8-tetrahydroquinolin-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)CC(CCOCC(F)(F)F)O)CC

DOS

IR

Vibrations