Geometry & MOs

Info

ID:	405508
PubChem CID:	135074193
Reduced:	O3H10C11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	400.114475
ΔH_f, kcal/mol:	-71.75
Dipole, Da:	2.97
IP(EA), eV:	-8.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-[4,5-dimethoxy-2-(4-nitrobenzoyl)phenyl]-2-ethoxy-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

C1C(CC1=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations