Geometry & MOs

Info

ID:	444440
PubChem CID:	135262441
Reduced:	ON8C25H28 (1)
Stoich.:	AB8C25D28 (1)
Weight, g/mol:	429.101937
ΔH_f, kcal/mol:	90.01
Dipole, Da:	5.83
IP(EA), eV:	-9.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3-fluoropyridin-4-yl)amino]-2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=C(C=C3C(=N2)NC4=CC=NC=C4)C(=O)NCCCN5CCCC5

DOS

IR

Vibrations