Geometry & MOs

Info

ID:	132536
PubChem CID:	51375451
Reduced:	OBr2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	558.05786
ΔH_f, kcal/mol:	47.71
Dipole, Da:	4.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.197460
Charge, e:	1

Chem-info

IUPAC name:

(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@@H](CN3C4=C(C=C(C=C4)Br)C5=C3C=CC(=C5)Br)O

DOS

IR

Vibrations