Geometry & MOs

Info

ID:	293603
PubChem CID:	117394182
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	8.28
IP(EA), eV:	-9.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-isocyanatocyclobutyl)phenyl]-4-methyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=CC=CC=C2C3CCC3

DOS

IR

Vibrations