Geometry & MOs

Info

ID:	444332
PubChem CID:	135262096
Reduced:	NO2F3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	415.061822
ΔH_f, kcal/mol:	-219.6
Dipole, Da:	6.16
IP(EA), eV:	-9.48(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CCNC(C3=CC=CC(=C23)C1)OC(=O)C(F)(F)F

DOS

IR

Vibrations