Geometry & MOs

Info

ID:	407998
PubChem CID:	135080753
Reduced:	NO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	361.01749
ΔH_f, kcal/mol:	-80.84
Dipole, Da:	4.26
IP(EA), eV:	-11.09(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CCCC(CC#N)C(=O)OC

DOS

IR

Vibrations