Geometry & MOs

Info

ID:	220955
PubChem CID:	85247959
Reduced:	PSC5O7H11 (1)
Stoich.:	ABC5D7E11 (1)
Weight, g/mol:	247.108267
ΔH_f, kcal/mol:	-390.62
Dipole, Da:	4.57
IP(EA), eV:	-9.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethoxy-1-hydroxy-5-oxo-5-phenylpent-1-ene-2-diazonium

Drug info:

PubChemData

Smile

C1C(C(C(O1)(CSP(=O)(O)O)O)O)O

DOS

IR

Vibrations