Geometry & MOs

Info

ID:	41738
PubChem CID:	8147011
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	19.04
Dipole, Da:	6.88
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC=C1[C@@H]2CCCN2CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations