Geometry & MOs

Info

ID:	241781
PubChem CID:	96024244
Reduced:	ClN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	4.9
IP(EA), eV:	-9.06(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C[C@H](C2=CC(=CC=C2)Cl)O)C(=O)N3CCOCC3

DOS

IR

Vibrations