Geometry & MOs

Info

ID:	332292
PubChem CID:	127250578
Reduced:	FO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	446.167808
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	4.43
IP(EA), eV:	-9.16(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(6-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)COC2=CC=C(C=C2)F)C3=CC=CC(=N3)C4=CN=CN=C4

DOS

IR

Vibrations