Geometry & MOs

Info

ID:	18833
PubChem CID:	548854
Reduced:	ON2C6H8 (1)
Stoich.:	AB2C6D8 (1)
Weight, g/mol:	124.063663
ΔH_f, kcal/mol:	33.24
Dipole, Da:	4.88
IP(EA), eV:	-10.48(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrahydro-2,1,3-benzoxadiazole

Drug info:

PubChemData

Smile

C1CCC2=NON=C2C1

DOS

IR

Vibrations