Geometry & MOs

Info

ID:	256926
PubChem CID:	103142476
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	284.150033
ΔH_f, kcal/mol:	-137.05
Dipole, Da:	4.12
IP(EA), eV:	-8.51(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(trifluoromethyl)piperidin-1-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=C(C=C2)OC)CO

DOS

IR

Vibrations