Geometry & MOs

Info

ID:	18705
PubChem CID:	546721
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	3.88
Dipole, Da:	3.41
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-(diazoniocarbamoyl)phenolate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C(=O)N[N+]#N

DOS

IR

Vibrations