Geometry & MOs

Info

ID:	188245
PubChem CID:	77687890
Reduced:	SO4N5H21C23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	283.086938
ΔH_f, kcal/mol:	-43.1
Dipole, Da:	8.24
IP(EA), eV:	-9.05(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-fluorophenyl)-5-(methylamino)pyrazol-4-ylidene]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)NC1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4

DOS

IR

Vibrations