Geometry & MOs

Info

ID:	325559
PubChem CID:	126683959
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	535.265551
ΔH_f, kcal/mol:	12.96
Dipole, Da:	2.94
IP(EA), eV:	-9.23(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-cyanocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC/C=C/C1=C(C(=NO1)C)N=O

DOS

IR

Vibrations