Geometry & MOs

Info

ID:

329598

PubChem CID:

126738873

Reduced:

NO4C18H25 (1)

Stoich.:

AB4C18D25 (1)

Weight, g/mol:

520.19732

ΔHf, kcal/mol:

-73.8

Dipole, Da:

6.44

IP(EA), eV:

 -10.17(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

5-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1C(C)(C)C)C(=O)OCC=C)[N+](=O)[O-]

DOS

IR

Vibrations