Geometry & MOs

Info

ID:	427635
PubChem CID:	135160862
Reduced:	F2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	454.176481
ΔH_f, kcal/mol:	24.1
Dipole, Da:	5.13
IP(EA), eV:	-8.53(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(2-fluoro-3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]propane-1,2-diol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1F)N=C2C=CC3=NC=C(N=C3N2CC)C4=CN(N=C4)C)F)CC

DOS

IR

Vibrations