Geometry & MOs

Info

ID:

181474

PubChem CID:

76748093

Reduced:

SiO5N6C46H60 (1)

Stoich.:

AB5C6D46E60 (1)

Weight, g/mol:

532.212885

ΔHf, kcal/mol:

-183.26

Dipole, Da:

6.6

IP(EA), eV:

 -8.67(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3,9-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl) N-[1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C2=NC=C(C2)C3=CC=C(C=C3)C4=CC5=CN=C(C=C5C=C4)C6=CN=C(N6COCC[Si](C)(C)C)C7CCCN7C(=O)OC(C)(C)C

DOS

IR

Vibrations