Geometry & MOs

Info

ID:	363846
PubChem CID:	127313503
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	7.29
IP(EA), eV:	-8.64(-0.97)
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-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations