Geometry & MOs

Info

ID:	355870
PubChem CID:	127290722
Reduced:	SO3N4C17H32 (1)
Stoich.:	AB3C4D17E32 (1)
Weight, g/mol:	363.19582
ΔH_f, kcal/mol:	-148.35
Dipole, Da:	1.88
IP(EA), eV:	-8.91(0.58)
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-methylprop-2-enyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC(=C)CN1CCC(CC1)NC(=O)NCC2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations