Geometry & MOs

Info

ID:	136121
PubChem CID:	51983309
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	226.111756
ΔH_f, kcal/mol:	58.6
Dipole, Da:	8.85
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-methylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@@H](CNC2=NC=NC3=C2NC=N3)C4=CC=CO4

DOS

IR

Vibrations