Geometry & MOs

Info

ID:

328787

PubChem CID:

126727775

Reduced:

F2N3O5C30H31 (1)

Stoich.:

A2B3C5D30E31 (1)

Weight, g/mol:

364.276616

ΔHf, kcal/mol:

-177.1

Dipole, Da:

3.12

IP(EA), eV:

 -8.49(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E,3Z,5Z)-2-methoxy-5-methyl-4-[3-(3-methylcyclohepta-2,4,6-trien-1-yl)prop-1-en-2-yl]-1-pentylcycloocta-1,3,5-triene

Drug info:

PubChemData

Smile

C[C@@H]1C=C(C=C(O1)C(C)(C)C)CCC(=O)C(=N)C2=CC(=C(C=C2F)F)OC3=NC=NC4=CC(=C(C=C43)OC)OC

DOS

IR

Vibrations