Geometry & MOs

Info

ID:	363884
PubChem CID:	127313541
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-55.12
Dipole, Da:	7.05
IP(EA), eV:	-8.62(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations