Geometry & MOs

Info

ID:	228774
PubChem CID:	87565739
Reduced:	N2O5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	241.082447
ΔH_f, kcal/mol:	-106.01
Dipole, Da:	2.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.840623
Charge, e:	1

Chem-info

IUPAC name:

(E)-1,3-dihydroxy-1-[(4S,5S)-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-3-oxoprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CC1(OC(C(O1)/C(=C(\C(=O)[O-])/[N+]#N)/[O-])C=C)C

DOS

IR

Vibrations