Geometry & MOs

Info

ID:	346760
PubChem CID:	127271264
Reduced:	FN3O3C21H30 (1)
Stoich.:	AB3C3D21E30 (1)
Weight, g/mol:	337.143784
ΔH_f, kcal/mol:	-175.64
Dipole, Da:	3.0
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CN2CCC(CC2)NC(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations