Geometry & MOs

Info

ID:	346941
PubChem CID:	127271445
Reduced:	FN3O3C17H24 (1)
Stoich.:	AB3C3D17E24 (1)
Weight, g/mol:	351.159434
ΔH_f, kcal/mol:	-164.14
Dipole, Da:	5.59
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations