Geometry & MOs

Info

ID:	147250
PubChem CID:	53786904
Reduced:	FNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	373.065176
ΔH_f, kcal/mol:	-148.47
Dipole, Da:	2.76
IP(EA), eV:	-9.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(4-chlorobenzoyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]methyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC(=O)O)F)O

DOS

IR

Vibrations