Geometry & MOs

Info

ID:	444403
PubChem CID:	135262318
Reduced:	FON4H8C11 (2)
Stoich.:	ABC4D8E11 (2)
Weight, g/mol:	366.124052
ΔH_f, kcal/mol:	2.99
Dipole, Da:	2.39
IP(EA), eV:	-9.16(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-fluoropyridin-4-yl)amino]-2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)C(F)F)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)C(=O)NCC5=COC=N5

DOS

IR

Vibrations