Geometry & MOs

Info

ID:	161362
PubChem CID:	57391448
Reduced:	ON7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	493.143133
ΔH_f, kcal/mol:	57.25
Dipole, Da:	2.4
IP(EA), eV:	-7.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxypropan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CNC1=C2C(=C3C=C(NC3=N1)C4=NC(=CC=C4)NCCOC)N(C=N2)C

DOS

IR

Vibrations