Geometry & MOs

Info

ID:	444415
PubChem CID:	135262335
Reduced:	O2N5H13C17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	375.144373
ΔH_f, kcal/mol:	84.36
Dipole, Da:	2.38
IP(EA), eV:	-9.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=NC=CC(=N1)C2=NN3C=CC=C3C(=N2)OC4=CC=CC=C4

DOS

IR

Vibrations