Geometry & MOs

Info

ID:	347091
PubChem CID:	127271595
Reduced:	FN3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	356.153621
ΔH_f, kcal/mol:	-186.98
Dipole, Da:	3.45
IP(EA), eV:	-9.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-2-yl)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-methylurea

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations