Geometry & MOs

Info

ID:	363858
PubChem CID:	127313515
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	6.5
IP(EA), eV:	-8.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations