Geometry & MOs

Info

ID:	446005
PubChem CID:	135271374
Reduced:	ON4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	346.117824
ΔH_f, kcal/mol:	82.46
Dipole, Da:	7.92
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridin-3-yl] formate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)C3=CC4=C(N3)C=C(C=C4)C5CN(C5)C(=O)C=C

DOS

IR

Vibrations