Geometry & MOs

Info

ID:

391730

PubChem CID:

135008985

Reduced:

N2O2Se2C39H55 (1)

Stoich.:

A2B2C2D39E55 (1)

Weight, g/mol:

238.091769

ΔHf, kcal/mol:

-88.57

Dipole, Da:

7.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.280497

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCC[N+]1=C([Se]C2=CC=CC=C21)/C=C/C=C\3/N(C4=CC=CC=C4[Se]3)CCCCCCCCCCC(=O)O

DOS

IR

Vibrations