Geometry & MOs

Info

ID:	333216
PubChem CID:	127251764
Reduced:	ON6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	432.077137
ΔH_f, kcal/mol:	68.05
Dipole, Da:	2.5
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations