Geometry & MOs

Info

ID:	144025
PubChem CID:	53301807
Reduced:	N4O4C33H36 (1)
Stoich.:	A4B4C33D36 (1)
Weight, g/mol:	226.99458
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	13.69
IP(EA), eV:	-9.37(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1,2,3,4-tetrahydroisoquinolin-6-ol

Drug info:

PubChemData

Smile

C1[C@H](N(C(=O)C(=O)N1)CC2=CC=CC=C2)CCCCN3C[C@@H](N(C(=O)C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations