Geometry & MOs

Info

ID:	361498
PubChem CID:	127303688
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	355.192963
ΔH_f, kcal/mol:	-172.88
Dipole, Da:	3.74
IP(EA), eV:	-8.98(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylthiomorpholin-4-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CCC3CCCCO3

DOS

IR

Vibrations