Geometry & MOs

Info

ID:	386107
PubChem CID:	134980796
Reduced:	OSiC17H25 (2)
Stoich.:	ABC17D25 (2)
Weight, g/mol:	516.305972
ΔH_f, kcal/mol:	-161.85
Dipole, Da:	2.31
IP(EA), eV:	-8.89(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,7S,8S,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):