Geometry & MOs

Info

ID:	126658
PubChem CID:	50972279
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	369.183461
ΔH_f, kcal/mol:	9.9
Dipole, Da:	3.22
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)CN(C/C=C/C1=CC=CC=C1)C(=O)[C@H](CC2=CSC=N2)N

DOS

IR

Vibrations