Geometry & MOs

Info

ID:	407007
PubChem CID:	135079100
Reduced:	N5O7H15C18 (1)
Stoich.:	A5B7C15D18 (1)
Weight, g/mol:	414.104973
ΔH_f, kcal/mol:	-27.13
Dipole, Da:	11.08
IP(EA), eV:	-10.02(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-1-hydroxy-1-methoxy-3-[4-nitro-N-[2-(4-nitrophenyl)ethyl]anilino]-3-oxoprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CO/C(=C(/C(=O)N(CCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])\[N+]#N)/[O-]

DOS

IR

Vibrations