Geometry & MOs

Info

ID:	427668
PubChem CID:	135161072
Reduced:	F2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	537.249981
ΔH_f, kcal/mol:	-28.0
Dipole, Da:	5.32
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluoro-N-[3-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethoxyanilino)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC(=NCC1=CC=CC=C1F)/C=C(/C2=NC=C(C(=N2)N(C)CC3(CCCC3)C)F)\N

DOS

IR

Vibrations