Geometry & MOs

Info

ID:	363718
PubChem CID:	127313336
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-50.91
Dipole, Da:	4.69
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC=CC(=C1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations