Geometry & MOs

Info

ID:	393547
PubChem CID:	135021015
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	318.181767
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	3.17
IP(EA), eV:	-9.38(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-3-[tert-butyl(2-phenylethyl)amino]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCO/C(=C(/C(=O)N(CCC1=CC=CC=C1)C(C)(C)C)\[N+]#N)/[O-]

DOS

IR

Vibrations