Geometry & MOs

Info

ID:	432313
PubChem CID:	135172446
Reduced:	NO6C36H39 (1)
Stoich.:	AB6C36D39 (1)
Weight, g/mol:	470.11787
ΔH_f, kcal/mol:	-142.45
Dipole, Da:	5.18
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]pyridine-3-carbonyl iodide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC(=CC=C1)OC2=CC=C(C=C2)COCC(=O)C(C)C)C(=O)COCCOC3=CN=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations