Geometry & MOs

Info

ID:

47443

PubChem CID:

10532690

Reduced:

NO7C42H63 (1)

Stoich.:

AB7C42D63 (1)

Weight, g/mol:

694.185235

ΔHf, kcal/mol:

-285.23

Dipole, Da:

6.18

IP(EA), eV:

 -9.21(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,7-trihydroxy-4,6-bis[3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)phenyl]cyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

CC1CCC23CCC(=C(C2/C=C(/C(CC4C(CC5(O4)CCC6(O5)C(CCC(O6)CC(=C)CCCC3=NC1)(C)O)C)O)\C)C)C7CC(C(=O)O7)C

DOS

IR

Vibrations