Geometry & MOs

Info

ID:	245233
PubChem CID:	99437992
Reduced:	FO4N5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	431.196883
ΔH_f, kcal/mol:	-177.14
Dipole, Da:	3.8
IP(EA), eV:	-9.09(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[[(3R)-1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CNC(=O)NCC2=CC=CO2)CNC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations