Geometry & MOs

Info

ID:	124846
PubChem CID:	50899038
Reduced:	ClO2F3N4H20C24 (1)
Stoich.:	AB2C3D4E20F24 (1)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	-128.25
Dipole, Da:	7.49
IP(EA), eV:	-8.71(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[[2-[2-(4-methylpiperazin-1-yl)ethyl]carbazol-9-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC=C(O1)C2=C(C=C(C=C2)C3=NN=C4N3CCCC4C5=C(C=C(C=C5)Cl)C(F)(F)F)OC

DOS

IR

Vibrations