Geometry & MOs

Info

ID:	412705
PubChem CID:	135085619
Reduced:	ClZnO2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	217.123342
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	2.72
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

COC1=[C-]C(=CC=C1)OC.Cl[Zn+]

DOS

IR

Vibrations