Geometry & MOs

Info

ID:	409882
PubChem CID:	135082669
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	-224.69
Dipole, Da:	8.06
IP(EA), eV:	-10.46(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-diazoniophenolate

Drug info:

PubChemData

Smile

C1CC2(CC3C1C(=O)OC(=O)C3)OCCO2

DOS

IR

Vibrations