Geometry & MOs

Info

ID:	427639
PubChem CID:	135160866
Reduced:	O4N9C25H29 (1)
Stoich.:	A4B9C25D29 (1)
Weight, g/mol:	508.234665
ΔH_f, kcal/mol:	31.11
Dipole, Da:	3.46
IP(EA), eV:	-8.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-1-piperazin-1-ylethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations