Geometry & MOs

Info

ID:	346806
PubChem CID:	127271310
Reduced:	FN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	358.132885
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	5.86
IP(EA), eV:	-9.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)NCC2=CC(=CC3=C2OCOC3)F)C4=CC=NC=C4

DOS

IR

Vibrations