Geometry & MOs

Info

ID:

25742

PubChem CID:

629873

Reduced:

NiC8H9 (2)

Stoich.:

AB8C9 (2)

Weight, g/mol:

370.178024

ΔHf, kcal/mol:

195.32

Dipole, Da:

4.77

IP(EA), eV:

 -7.24(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6-acetyloxy-7-methyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),12,14-trien-14-yl) acetate

Drug info:

PubChemData

Smile

[CH2-][CH-][CH2-].[CH2-][CH-][CH2-].[CH-]1[CH-][CH-][C-]([CH-]1)[C-]2[CH-][CH-][CH-][CH-]2.[Ni].[Ni]

DOS

IR

Vibrations