Geometry & MOs

Info

ID:	409884
PubChem CID:	135082671
Reduced:	ON2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	298.070205
ΔH_f, kcal/mol:	11.93
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.929974
Charge, e:	0

Chem-info

IUPAC name:

2-diazonio-4-(5-diazonio-2-methoxy-4-oxidophenyl)-5-methoxyphenolate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations