Geometry & MOs

Info

ID:

390206

PubChem CID:

134997740

Reduced:

ClN2O3H19C25 (1)

Stoich.:

AB2C3D19E25 (1)

Weight, g/mol:

975.37159

ΔHf, kcal/mol:

-1.3

Dipole, Da:

7.0

IP(EA), eV:

 -9.0(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=NC(=C(N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4)Cl)C=O

DOS

IR

Vibrations