Geometry & MOs

Info

ID:

299328

PubChem CID:

117682653

Reduced:

NH9C14 (3)

Stoich.:

AB9C14 (3)

Weight, g/mol:

434.0743

ΔHf, kcal/mol:

204.55

Dipole, Da:

0.9

IP(EA), eV:

 -8.32(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,12-dihydroxy-9-(hydroxymethyl)-8,17-dimethyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-18-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2=CN=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2)C)C6=CC7=C8C(=C6)C9=CC=CC=C9N8C1=CC=CC=C17

DOS

IR

Vibrations