Geometry & MOs

Info

ID:	346983
PubChem CID:	127271487
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	351.19582
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	2.36
IP(EA), eV:	-8.83(0.63)
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-piperidin-1-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCC(CC1)C2=NC=CN2)N3CCOCC3

DOS

IR

Vibrations