Geometry & MOs

Info

ID:

134213

PubChem CID:

51663030

Reduced:

NO3C14H14 (1)

Stoich.:

AB3C14D14 (1)

Weight, g/mol:

305.081384

ΔHf, kcal/mol:

-58.25

Dipole, Da:

10.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.108016

Charge, e:

 -1

Chem-info

IUPAC name:

2-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-3-oxoinden-1-olate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=O)/C=C\C(=O)[O-]

DOS

IR

Vibrations