Geometry & MOs

Info

ID:	234189
PubChem CID:	92297890
Reduced:	BrClNF3O3H14C24 (1)
Stoich.:	ABCD3E3F14G24 (1)
Weight, g/mol:	561.96142
ΔH_f, kcal/mol:	-187.38
Dipole, Da:	7.68
IP(EA), eV:	-9.45(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,6-diiodocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2[C@@H](C(=C(C3=CC=C(C=C3)Br)O)C(=O)C2=O)C4=CC=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations