Geometry & MOs

Info

ID:	411569
PubChem CID:	135084401
Reduced:	BrNOCl2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	1.9
IP(EA), eV:	-9.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-[2-(4-methylphenyl)propan-2-yl]-5H-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)C(C2=CC(=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations