Geometry & MOs

Info

ID:

3179

PubChem CID:

9282

Reduced:

O3N5H15C20 (2)

Stoich.:

A3B5C15D20 (2)

Weight, g/mol:

746.234979

ΔHf, kcal/mol:

301.17

Dipole, Da:

7.99

IP(EA), eV:

 -7.2(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8

DOS

IR

Vibrations