Geometry & MOs

Info

ID:

412358

PubChem CID:

135085248

Reduced:

ON3C20H29 (1)

Stoich.:

AB3C20D29 (1)

Weight, g/mol:

1009.20591

ΔHf, kcal/mol:

-0.27

Dipole, Da:

10.29

IP(EA), eV:

-6.69(0.22)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;2,5-dimethylpyrrol-1-ide

Drug info:

PubChemData

Smile

CCC1C[NH+]2CCC1CC2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)[NH3+]

DOS

IR

Vibrations