Geometry & MOs

Info

ID:	241636
PubChem CID:	96023885
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-52.84
Dipole, Da:	8.92
IP(EA), eV:	-9.27(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methylphenol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(N=CN3)C(=O)O

DOS

IR

Vibrations