Geometry & MOs

Info

ID:	190677
PubChem CID:	78040986
Reduced:	SF2O2N6C20H24 (1)
Stoich.:	AB2C2D6E20F24 (1)
Weight, g/mol:	411.201888
ΔH_f, kcal/mol:	-72.46
Dipole, Da:	6.49
IP(EA), eV:	-8.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[1-(2-hydroxyethyl)piperidin-3-yl]-7-(2-methoxypyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

Drug info:

PubChemData

Smile

CN(C1C2CCC(C(C2NN1)F)F)C3=NC(=NC=C3)NC4=CC5=C(C=C4)C=CS5(O)O

DOS

IR

Vibrations