Geometry & MOs

Info

ID:	241285
PubChem CID:	96022394
Reduced:	NCl2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	284.084704
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	7.74
IP(EA), eV:	-9.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,8-dichloro-1-[(2R)-piperidin-2-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations