Geometry & MOs

Info

ID:	352655
PubChem CID:	127283744
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-59.81
Dipole, Da:	3.08
IP(EA), eV:	-8.77(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-morpholin-4-yl-3-oxopropyl)-3-propan-2-ylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCCN1CC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations