Geometry & MOs

Info

ID:	306149
PubChem CID:	125001780
Reduced:	FN3O3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	8.0
IP(EA), eV:	-9.05(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCCN2C3=NC=C(C(=N3)CCC4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations