Geometry & MOs

Info

ID:	444404
PubChem CID:	135262320
Reduced:	FO2N6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	331.118158
ΔH_f, kcal/mol:	19.71
Dipole, Da:	2.17
IP(EA), eV:	-9.19(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C2=NN3C=C(C=C3C(=N2)NC4=C(C=NC=C4)F)CO

DOS

IR

Vibrations