Geometry & MOs

Info

ID:	50192
PubChem CID:	12012703
Reduced:	NOSC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	219.071785
ΔH_f, kcal/mol:	40.58
Dipole, Da:	1.46
IP(EA), eV:	-8.91(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)methyl]-5-methylsulfanyl-1,2-oxazole

Drug info:

PubChemData

Smile

CSC1=CC(=NO1)CC2=CC=CC=C2

DOS

IR

Vibrations