Geometry & MOs

Info

ID:	444436
PubChem CID:	135262436
Reduced:	O3N4H14C15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	354.0796
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	8.8
IP(EA), eV:	-9.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-4-yl)-2-(5-fluoro-6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

Drug info:

PubChemData

Smile

CCOC1=NC(=NN2C1=CC=C2C(=O)O)C3=CC=CC(=N3)C

DOS

IR

Vibrations