Geometry & MOs

Info

ID:	347102
PubChem CID:	127271606
Reduced:	FN3O3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	350.164185
ΔH_f, kcal/mol:	-161.68
Dipole, Da:	5.06
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-(oxolan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(CC2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations