Geometry & MOs

Info

ID:	436109
PubChem CID:	135193853
Reduced:	O2F3N4C29H29 (1)
Stoich.:	A2B3C4D29E29 (1)
Weight, g/mol:	138.079313
ΔH_f, kcal/mol:	-155.57
Dipole, Da:	6.06
IP(EA), eV:	-8.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,6-dihydropyridazin-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN2C=CC=CC2=C1C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations