Geometry & MOs

Info

ID:	241768
PubChem CID:	96024190
Reduced:	NC10H10 (2)
Stoich.:	AB10C10 (2)
Weight, g/mol:	288.162649
ΔH_f, kcal/mol:	54.04
Dipole, Da:	1.13
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]quinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations