Geometry & MOs

Info

ID:	299047
PubChem CID:	117670076
Reduced:	ClF3N3C6H7 (1)
Stoich.:	AB3C3D6E7 (1)
Weight, g/mol:	293.104338
ΔH_f, kcal/mol:	-133.93
Dipole, Da:	4.16
IP(EA), eV:	-9.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2-methyl-5-pyrimidin-2-ylpyrazol-3-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC(C1=C(C(=NN1)C(F)(F)F)Cl)N

DOS

IR

Vibrations