Geometry & MOs

Info

ID:	447035
PubChem CID:	135279719
Reduced:	NOC11H23 (1)
Stoich.:	ABC11D23 (1)
Weight, g/mol:	489.23108
ΔH_f, kcal/mol:	-76.49
Dipole, Da:	3.4
IP(EA), eV:	-8.87(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(C)C)N(C)CC(=O)C

DOS

IR

Vibrations