Geometry & MOs

Info

ID:	293475
PubChem CID:	117390863
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-178.0
Dipole, Da:	3.41
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-isocyanatocyclobutyl)phenyl]-1H-imidazol-2-one

Drug info:

PubChemData

Smile

COCC1=CC(=C(C=C1C(C(=O)O)N)OC)OC

DOS

IR

Vibrations