Geometry & MOs

Info

ID:	395761
PubChem CID:	135026474
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	204.113687
ΔH_f, kcal/mol:	39.65
Dipole, Da:	3.44
IP(EA), eV:	-9.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]prop-1-ene-1-diazonium

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC/C(=C/[N+]#N)/[O-]

DOS

IR

Vibrations