Geometry & MOs

Info

ID:	431336
PubChem CID:	135171411
Reduced:	FO3N10H43C44 (1)
Stoich.:	AB3C10D43E44 (1)
Weight, g/mol:	195.019939
ΔH_f, kcal/mol:	52.65
Dipole, Da:	1.13
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C2=C(C(=NC=N2)N3CCC(CC3)OC4=C(C=CC(=C4)C#N)C5=C(N=CC(=C5)C6=C(C(=NC=N6)N7CCC(CC7)OC8=CN=C(C=C8)OC)C)F)C

DOS

IR

Vibrations