Geometry & MOs

Info

ID:	241290
PubChem CID:	96022452
Reduced:	Cl2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	296.028332
ΔH_f, kcal/mol:	37.72
Dipole, Da:	3.28
IP(EA), eV:	-8.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(N=C1)[C@@H]2C3=C(CCN2)C=C(C=C3Cl)Cl

DOS

IR

Vibrations