Geometry & MOs

Info

ID:	172091
PubChem CID:	75465109
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	321.102588
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	3.43
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4-fluorophenyl)-3-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)O)C.Cl

DOS

IR

Vibrations