Geometry & MOs

Info

ID:	370887
PubChem CID:	127341211
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	4.64
IP(EA), eV:	-9.35(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)NCC2(CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations