Geometry & MOs

Info

ID:	139500
PubChem CID:	52542958
Reduced:	NO2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	376.260017
ΔH_f, kcal/mol:	-177.65
Dipole, Da:	1.59
IP(EA), eV:	-8.06(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ium-1-ylpropyl)urea

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)NC(=O)NCCCOCC)OCCC

DOS

IR

Vibrations