Geometry & MOs

Info

ID:	444365
PubChem CID:	135262198
Reduced:	FO2N8H29C30 (1)
Stoich.:	AB2C8D29E30 (1)
Weight, g/mol:	361.128723
ΔH_f, kcal/mol:	62.84
Dipole, Da:	3.32
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=N[C@H]2CCN(C[C@@H]2O)CC3=C4C(=NC(=NN4C=C3)C5=CC=CC=N5)NC6=C(C=NC=C6)F

DOS

IR

Vibrations