Geometry & MOs

Info

ID:	241767
PubChem CID:	96024189
Reduced:	NC10H10 (2)
Stoich.:	AB10C10 (2)
Weight, g/mol:	288.162649
ΔH_f, kcal/mol:	56.94
Dipole, Da:	1.14
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=NC4=CC=CC=C4C=C3)C=C1)C

DOS

IR

Vibrations