Geometry & MOs

Info

ID:	89493
PubChem CID:	49962082
Reduced:	ClNC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	276.151902
ΔH_f, kcal/mol:	32.02
Dipole, Da:	1.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750024
Charge, e:	-1

Chem-info

IUPAC name:

(1S,3S)-1,3-bis(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline;chloride

Drug info:

PubChemData

Smile

C[C@@H]1C=C(C[C@@H](N1)CC=C)C.[Cl-]

DOS

IR

Vibrations