Geometry & MOs

Info

ID:	399625
PubChem CID:	135041334
Reduced:	OH6C9 (1)
Stoich.:	AB6C9 (1)
Weight, g/mol:	239.094629
ΔH_f, kcal/mol:	77.43
Dipole, Da:	1.45
IP(EA), eV:	-8.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1C#CC=CC2=C1OC=C2

DOS

IR

Vibrations