Geometry & MOs

Info

ID:	206463
PubChem CID:	80255203
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	278.106671
ΔH_f, kcal/mol:	-41.51
Dipole, Da:	4.71
IP(EA), eV:	-8.78(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-(oxolan-3-yl)urea

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1N)C(=O)NC2CCCC2

DOS

IR

Vibrations