Geometry & MOs

Info

ID:	444396
PubChem CID:	135262282
Reduced:	O3F4C6H8 (1)
Stoich.:	A3B4C6D8 (1)
Weight, g/mol:	430.222957
ΔH_f, kcal/mol:	-330.6
Dipole, Da:	2.35
IP(EA), eV:	-11.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C(C(=CC(F)F)CF)F.C(=O)(O)O

DOS

IR

Vibrations