Geometry & MOs

Info

ID:	164579
PubChem CID:	74419156
Reduced:	F3N3O3C26H36 (1)
Stoich.:	A3B3C3D26E36 (1)
Weight, g/mol:	301.163771
ΔH_f, kcal/mol:	-287.34
Dipole, Da:	7.71
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(3-hydroxy-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-2-yl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCC(C(C2)CC[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)CC(=O)[O-]

DOS

IR

Vibrations