Geometry & MOs

Info

ID:	364245
PubChem CID:	127314549
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	329.177313
ΔH_f, kcal/mol:	-114.17
Dipole, Da:	1.27
IP(EA), eV:	-8.74(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-2-[4-(thiane-4-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2CCN(CC2)C3CCN(C3=O)C4=CC=CC=C4)O

DOS

IR

Vibrations