Geometry & MOs

Info

ID:	145471
PubChem CID:	53530442
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	1.46
IP(EA), eV:	-9.22(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)N4CCC(CC4)C(=O)N

DOS

IR

Vibrations