Geometry & MOs

Info

ID:

441064

PubChem CID:

135232986

Reduced:

FOSN7C24H24 (1)

Stoich.:

ABCD7E24F24 (1)

Weight, g/mol:

497.32938

ΔHf, kcal/mol:

69.56

Dipole, Da:

5.7

IP(EA), eV:

 -8.51(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1Z)-3-[5-tert-butyl-2-nitroso-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)phenyl]-1-methoxypenta-1,3-dienyl]-4-ethylcyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN(C(=N)C(=C2)F)C(=N)SC3=CC4=CC(=CN=C4C=C3)N5CCC(CC5)O

DOS

IR

Vibrations