Geometry & MOs

Info

ID:	444372
PubChem CID:	135262209
Reduced:	H3C5F5O6 (1)
Stoich.:	A3B5C5D6 (1)
Weight, g/mol:	345.122575
ΔH_f, kcal/mol:	-500.55
Dipole, Da:	0.83
IP(EA), eV:	-12.47(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C(C(C(OC(=O)O)(F)F)(OC(=O)O)F)(F)F

DOS

IR

Vibrations