Geometry & MOs

Info

ID:	225018
PubChem CID:	85735572
Reduced:	N2O2C9H13 (1)
Stoich.:	A2B2C9D13 (1)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	-0.31
Dipole, Da:	5.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765044
Charge, e:	0

Chem-info

IUPAC name:

2-diazonio-1-hexa-4,5-dienoxyethenolate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations