Geometry & MOs

Info

ID:	446007
PubChem CID:	135271391
Reduced:	O2F3N6H11C18 (1)
Stoich.:	A2B3C6D11E18 (1)
Weight, g/mol:	392.176087
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	7.42
IP(EA), eV:	-9.09(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-N-(3-fluoropyridin-4-yl)-2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)C(F)(F)F)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)OC=O

DOS

IR

Vibrations