Geometry & MOs

Info

ID:	324474
PubChem CID:	126677733
Reduced:	F3N7H12C20 (1)
Stoich.:	A3B7C12D20 (1)
Weight, g/mol:	405.100794
ΔH_f, kcal/mol:	23.7
Dipole, Da:	6.08
IP(EA), eV:	-9.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)C(F)(F)F)C2=NN3C=CC=C3C(=N2)NC4=C5C(=NC=C4)C=CC=N5

DOS

IR

Vibrations