Geometry & MOs

Info

ID:	22201
PubChem CID:	596247
Reduced:	NOC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	164.058578
ΔH_f, kcal/mol:	29.92
Dipole, Da:	6.17
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-methyl-2,1,3-benzoxadiazole

Drug info:

PubChemData

Smile

CC1=CC2=NON=C2C(=C1)OC

DOS

IR

Vibrations