Geometry & MOs

Info

ID:	132535
PubChem CID:	51375450
Reduced:	N2O3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	558.05786
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	6.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769968
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC3=CNC4=CC=CC=C43)[O-])C(=O)C

DOS

IR

Vibrations