Geometry & MOs

Info

ID:	355857
PubChem CID:	127290709
Reduced:	SO3N4C14H22 (1)
Stoich.:	AB3C4D14E22 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	4.36
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations