Geometry & MOs

Info

ID:	346921
PubChem CID:	127271425
Reduced:	FN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-173.58
Dipole, Da:	6.83
IP(EA), eV:	-8.11(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations