Geometry & MOs

Info

ID:	179965
PubChem CID:	76559334
Reduced:	O2F3N8H15C20 (1)
Stoich.:	A2B3C8D15E20 (1)
Weight, g/mol:	443.181821
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	9.93
IP(EA), eV:	-8.84(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-N-[1-[3-[5-(1-methylcyclopropyl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-oxazol-5-yl]ethyl]purine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C2N=C3C=CC(=CC3=N2)C(F)(F)F)NO1)NC(=O)C4=C5C=NN(C5=NC=N4)C

DOS

IR

Vibrations