Geometry & MOs

Info

ID:	164070
PubChem CID:	74381751
Reduced:	S2N3O3F4H17C23 (1)
Stoich.:	A2B3C3D4E17F23 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-169.33
Dipole, Da:	4.82
IP(EA), eV:	-9.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-methyl-3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-3H-pyridazin-6-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)C=CC2=C(N=C(C=C2)C(F)(F)F)C3=CSC=C3)C#C

DOS

IR

Vibrations