Geometry & MOs

Info

ID:	241102
PubChem CID:	96021167
Reduced:	ON2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	238.146999
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	3.49
IP(EA), eV:	-8.9(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-methyl-1-(6-methylpyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)C3=CC=CNC3=O

DOS

IR

Vibrations