Geometry & MOs

Info

ID:	427646
PubChem CID:	135160920
Reduced:	FO2N7C25H28 (1)
Stoich.:	AB2C7D25E28 (1)
Weight, g/mol:	434.197886
ΔH_f, kcal/mol:	29.5
Dipole, Da:	6.14
IP(EA), eV:	-8.77(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-1-(dimethylamino)prop-1-en-2-yl]-N-(2-fluoro-5-methoxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)OC)N(CCNC2COC2)C3=NC4=NC(=CN=C4C=C3)C5=CN(N=C5)C)F

DOS

IR

Vibrations