Geometry & MOs

Info

ID:	208767
PubChem CID:	80582189
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	260.096106
ΔH_f, kcal/mol:	-20.05
Dipole, Da:	2.63
IP(EA), eV:	-8.53(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazol-2-one

Drug info:

PubChemData

Smile

CCN1C=CN(C1=O)CC2=CC=C(C=C2)C#CCCO

DOS

IR

Vibrations