Geometry & MOs

Info

ID:	257746
PubChem CID:	103148449
Reduced:	NOSF3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	298.129298
ΔH_f, kcal/mol:	-204.36
Dipole, Da:	2.38
IP(EA), eV:	-8.76(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-4-yl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CC(CCOCC(F)(F)F)NC

DOS

IR

Vibrations