Geometry & MOs

Info

ID:	241295
PubChem CID:	96022502
Reduced:	OCl2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	259.053069
ΔH_f, kcal/mol:	-14.81
Dipole, Da:	3.39
IP(EA), eV:	-9.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2Cl)Cl)C3=CC=CNC3=O

DOS

IR

Vibrations