Geometry & MOs

Info

ID:	346752
PubChem CID:	127271256
Reduced:	ClN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	326.1278
ΔH_f, kcal/mol:	-126.61
Dipole, Da:	4.78
IP(EA), eV:	-8.66(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)NCC3COCCO3

DOS

IR

Vibrations