Geometry & MOs

Info

ID:

408758

PubChem CID:

135081526

Reduced:

O3C15H23 (2)

Stoich.:

A3B15C23 (2)

Weight, g/mol:

536.183503

ΔHf, kcal/mol:

-271.65

Dipole, Da:

7.48

IP(EA), eV:

 -9.04(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[7-(2,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-7,8-dihydro-6H-pyrano[3,2-g]chromen-2-ylidene]-3-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](O[C@@H]([C@@H]([C@H]1O)C)C2=C(C(=O)C(=C3C2=CCO3)C)O)CC[C@H](C)/C=C(\C)/C[C@@H](C)C[C@H](C)CO

DOS

IR

Vibrations