Geometry & MOs

Info

ID:

397184

PubChem CID:

135029856

Reduced:

N3O3H9C10 (1)

Stoich.:

A3B3C9D10 (1)

Weight, g/mol:

544.313001

ΔHf, kcal/mol:

-9.54

Dipole, Da:

5.59

IP(EA), eV:

 -9.39(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(E)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethenyl]tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N=C(N2)C[N+](=O)[O-]

DOS

IR

Vibrations