Geometry & MOs

Info

ID:	346734
PubChem CID:	127271238
Reduced:	FN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	387.12642
ΔH_f, kcal/mol:	-187.21
Dipole, Da:	4.86
IP(EA), eV:	-8.87(-0.66)
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-methylsulfonylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC(=O)NCC2=CC(=CC3=C2OCOC3)F)C

DOS

IR

Vibrations