Geometry & MOs

Info

ID:

401617

PubChem CID:

135051842

Reduced:

OSeC9H9 (1)

Stoich.:

ABC9D9 (1)

Weight, g/mol:

314.02099

ΔHf, kcal/mol:

-9.5

Dipole, Da:

1.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.069053

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(2,4-dimethylphenyl)methylidene]-1-benzoselenophen-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=[O+]1)C)[Se]C=C2

DOS

IR

Vibrations