Geometry & MOs

Info

ID:	269123
PubChem CID:	103614900
Reduced:	ON3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	-82.37
Dipole, Da:	4.13
IP(EA), eV:	-8.72(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNC(=O)NC1CCCC1

DOS

IR

Vibrations