Geometry & MOs

Info

ID:	321690
PubChem CID:	126666799
Reduced:	OF4N5H17C20 (1)
Stoich.:	AB4C5D17E20 (1)
Weight, g/mol:	418.156495
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	5.24
IP(EA), eV:	-9.63(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-difluorophenyl)methyl]-4-[[(3R,4R)-4-hydroxyoxan-3-yl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1N2C(=NC3=CN=C4C=CC(=CC4=C32)F)CN5C=C(C=N5)C(F)(F)F

DOS

IR

Vibrations