Geometry & MOs

Info

ID:	363011
PubChem CID:	127310036
Reduced:	O2N6C19H30 (1)
Stoich.:	A2B6C19D30 (1)
Weight, g/mol:	324.179755
ΔH_f, kcal/mol:	-13.79
Dipole, Da:	6.57
IP(EA), eV:	-8.89(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxan-2-yl-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C(C)C3=C(N(N=C3C)C)C

DOS

IR

Vibrations