Geometry & MOs

Info

ID:	400036
PubChem CID:	135044699
Reduced:	O13C27H27 (1)
Stoich.:	A13B27C27 (1)
Weight, g/mol:	400.87736
ΔH_f, kcal/mol:	-458.13
Dipole, Da:	5.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.619068
Charge, e:	0

Chem-info

IUPAC name:

5,7-diiodo-1,2,3,4-tetrahydroquinolin-8-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C(=[O+]C3=C2C(=CC(=C3)O)O1)C4=CC(=C(C(=C4)OC)O)OC)OC5C(C(C(C(O5)CO)O)O)O

DOS

IR

Vibrations