Geometry & MOs

Info

ID:	241843
PubChem CID:	96024385
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	-6.73
Dipole, Da:	2.83
IP(EA), eV:	-8.85(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloro-6-methylphenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(N=CC=C3)OC

DOS

IR

Vibrations