Geometry & MOs

Info

ID:	145820
PubChem CID:	53598315
Reduced:	FSO2N3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	309.185255
ΔH_f, kcal/mol:	-80.69
Dipole, Da:	2.01
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]urea

Drug info:

PubChemData

Smile

C1CSC(=O)N1CCC(=O)NC2=CC(=C(C=C2)F)N3C=CC=C3

DOS

IR

Vibrations