Geometry & MOs

Info

ID:	368576
PubChem CID:	127329538
Reduced:	O3N4C20H36 (1)
Stoich.:	A3B4C20D36 (1)
Weight, g/mol:	332.176979
ΔH_f, kcal/mol:	-150.02
Dipole, Da:	7.31
IP(EA), eV:	-8.73(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothian-4-yl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1CN(CCN1CCOC)C(=O)C2CCCN(C2)C(=O)N3CCCC3

DOS

IR

Vibrations