Geometry & MOs

Info

ID:	306423
PubChem CID:	125011655
Reduced:	FN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-125.53
Dipole, Da:	4.15
IP(EA), eV:	-9.07(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=NC=C(O2)CC3=CC(=CC=C3)F)C(=O)CN4CCOCC4

DOS

IR

Vibrations