Geometry & MOs

Info

ID:

440924

PubChem CID:

135232250

Reduced:

NC28H29 (1)

Stoich.:

AB28C29 (1)

Weight, g/mol:

370.229666

ΔHf, kcal/mol:

110.79

Dipole, Da:

3.79

IP(EA), eV:

 -7.65(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-3,7-dimethyl-4-methylidene-5-[3-methyl-2-methylidene-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-ylidene]-2,6-bis[(Z)-prop-1-enyl]-1-benzofuran

Drug info:

PubChemData

Smile

C/C=C\C\1=C(CC(=C)/C1=C/2\C(=C)C(=C(C3=C2N(C4=CC=CC=C43)C)C)/C=C\C)C

DOS

IR

Vibrations