Geometry & MOs

Info

ID:	221375
PubChem CID:	85272325
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	233.092617
ΔH_f, kcal/mol:	-49.62
Dipole, Da:	4.06
IP(EA), eV:	-9.53(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-acetyloxy-2-hydroxy-4-phenylbut-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CC(=O)OC(CC1=CC=CC=C1)C(=C[N+]#N)[O-]

DOS

IR

Vibrations