Geometry & MOs

Info

ID:	41742
PubChem CID:	8147015
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	2.78
IP(EA), eV:	-9.17(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxyethanone

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C(=O)COC2=NC=NC3=C2C=NN3C4=CC=CC=C4

DOS

IR

Vibrations