Geometry & MOs

Info

ID:	333219
PubChem CID:	127251767
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	430.122338
ΔH_f, kcal/mol:	-3.85
Dipole, Da:	1.82
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-fluoro-4-methylphenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations