Geometry & MOs

Info

ID:

427477

PubChem CID:

135159265

Reduced:

N2O2H44C47 (1)

Stoich.:

A2B2C44D47 (1)

Weight, g/mol:

610.319543

ΔHf, kcal/mol:

74.64

Dipole, Da:

1.84

IP(EA), eV:

 -8.16(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-methyl-4-[3-(1,2,3,4-tetrahydropyridin-6-yl)spiro[1,2,3,4,5,6-hexahydroxanthene-9,9'-8,8a-dihydroxanthene]-3'-yl]-1-benzofuran-3-yl]ethanamine

Drug info:

PubChemData

Smile

C1CC=C2C(C1)C3(C4C=CC=CC4O2)C5=C(CC(CC5)C6=C7C8=CC=CC=C8N(C7=CC=C6)C9=CC=CC=C9)OC1=C3C=CC(C1)C1=CCCN1

DOS

IR

Vibrations