Geometry & MOs

Info

ID:

187236

PubChem CID:

77548837

Reduced:

SiN3O7C37H45 (1)

Stoich.:

AB3C7D37E45 (1)

Weight, g/mol:

478.176681

ΔHf, kcal/mol:

-230.18

Dipole, Da:

9.0

IP(EA), eV:

 -8.86(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-[2-[2-(3-cyanophenoxy)ethyl]-7-methyl-1,3-dioxo-4,5,6,7a-tetrahydro-3aH-4,7-epoxyisoindol-2-ium-2-yl]naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C2C(OC1(CO2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=CC(=NC6=O)N

DOS

IR

Vibrations