Geometry & MOs

Info

ID:	241296
PubChem CID:	96022524
Reduced:	NOCl2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	259.053069
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	3.28
IP(EA), eV:	-9.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-dichloro-1-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COCC[C@@H]1C2=C(CCN1)C=C(C=C2Cl)Cl

DOS

IR

Vibrations