Geometry & MOs

Info

ID:

402080

PubChem CID:

135054198

Reduced:

CoOPC32H35 (1)

Stoich.:

ABCD32E35 (1)

Weight, g/mol:

591.221752

ΔHf, kcal/mol:

32.53

Dipole, Da:

42.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.808444

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3R,6S)-6-methyl-3-pentyl-2-pyridin-2-yl-5-tri(propan-2-yl)silyloxy-3,6-dihydropyridazine-1-carboxylate

Drug info:

PubChemData

Smile

[CH3-].C1CC2C(=C3CCCC3=C(C24CC4)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6)C1.C1=C[CH]C=C1.[Co]

DOS

IR

Vibrations