Geometry & MOs

Info

ID:	427641
PubChem CID:	135160868
Reduced:	O2N10C21H24 (1)
Stoich.:	A2B10C21D24 (1)
Weight, g/mol:	542.24531
ΔH_f, kcal/mol:	105.82
Dipole, Da:	3.93
IP(EA), eV:	-8.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-3-methyl-4-propan-2-yloxybutan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations