Geometry & MOs

Info

ID:	444416
PubChem CID:	135262337
Reduced:	O2N7H17C19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	478.2241
ΔH_f, kcal/mol:	63.52
Dipole, Da:	3.79
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-fluoropyridin-4-yl)amino]-2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-(4-methylpiperazin-1-yl)ethanol

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)NC2=NC(=NN3C2=CC=C3)C4=NC(=CC=C4)OC

DOS

IR

Vibrations