Geometry & MOs

Info

ID:	296992
PubChem CID:	117605099
Reduced:	OC7H12 (1)
Stoich.:	AB7C12 (1)
Weight, g/mol:	511.137985
ΔH_f, kcal/mol:	-18.48
Dipole, Da:	2.96
IP(EA), eV:	-9.85(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC/C=C/C1C(O1)C

DOS

IR

Vibrations