Geometry & MOs

Info

ID:

396042

PubChem CID:

135027259

Reduced:

NO24C62H115 (1)

Stoich.:

AB24C62D115 (1)

Weight, g/mol:

294.136828

ΔHf, kcal/mol:

-1261.98

Dipole, Da:

11.69

IP(EA), eV:

 -9.34(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[(4-hydroxy-3-prop-2-enylphenyl)hydrazinylidene]-2-prop-2-enylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCCCCCC[C@H](C[C@]1([C@H]([C@H]([C@@H]([C@H](O1)C[C@@H]([C@H]([C@@H]([C@H]([C@H](C[C@H](C[C@H](C[C@H]([C@H](C)[C@H]([C@@H](C)[C@H](C[C@H]([C@H](C)[C@H]([C@@H](C)[C@H]([C@H](C)[C@H]([C@@H](C[C@H](C)C[C@H](C)/C=C(\C)/C(=C/2\C(=O)[C@H](N(C2=O)C)C)/O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations