Geometry & MOs

Info

ID:	427633
PubChem CID:	135160860
Reduced:	FO2N9C22H24 (1)
Stoich.:	AB2C9D22E24 (1)
Weight, g/mol:	452.197217
ΔH_f, kcal/mol:	56.06
Dipole, Da:	6.18
IP(EA), eV:	-7.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-3,5-dimethoxyphenyl)-5-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-imine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C3C=CC(=NC3=N2)N(C/C(=C/NN)/N)C4=C(C(=CC(=C4)OC)OC)F

DOS

IR

Vibrations