Geometry & MOs

Info

ID:	256916
PubChem CID:	103142374
Reduced:	N2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	299.160932
ΔH_f, kcal/mol:	-8.84
Dipole, Da:	1.89
IP(EA), eV:	-8.47(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CCC2(CC1)CCN(CC2)C3=CC=CC4=C3CNCC4

DOS

IR

Vibrations