Geometry & MOs

Info

ID:	346772
PubChem CID:	127271276
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	379.190734
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	4.92
IP(EA), eV:	-8.83(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)N2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations