Geometry & MOs

Info

ID:	241882
PubChem CID:	96024489
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	2.32
IP(EA), eV:	-8.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC(=CNC3=O)Cl

DOS

IR

Vibrations