Geometry & MOs

Info

ID:	325490
PubChem CID:	126683552
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	518.2554
ΔH_f, kcal/mol:	-130.04
Dipole, Da:	3.57
IP(EA), eV:	-9.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1,3-dimethylcyclobutyl)-6-[3-fluoro-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)C(=O)OC)O[C@H](C)COC

DOS

IR

Vibrations