Geometry & MOs

Info

ID:	346924
PubChem CID:	127271428
Reduced:	FN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	374.1278
ΔH_f, kcal/mol:	-163.33
Dipole, Da:	4.02
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]urea

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations