Geometry & MOs

Info

ID:

79627

PubChem CID:

49829773

Reduced:

NO5C25H29 (1)

Stoich.:

AB5C25D29 (1)

Weight, g/mol:

400.248784

ΔHf, kcal/mol:

-158.62

Dipole, Da:

6.0

IP(EA), eV:

 -8.7(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(8aR)-8a-methyl-5-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-3-yl]methyl-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylazanium

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC

DOS

IR

Vibrations